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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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/WNV115-30a878ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV115-30a878ee/inputs/seq.fa: 1
curr_seq: _AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUACAACGCCGACAUGAUUGAUCCUUUUCAGUUGGGCCUUAUGGUCGUGUUCUUGGCCACCCAGGAGGUCCUUCGCAAGAGGUGGACGGCCAAGAUCAGCAUUCCAGCUAUCAUG
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 115 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: 580
n_atoms_counter: 580
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _............(((((..((......))..(((((((....))))....((((((((.........(((((((....))))..))))))))))).........)))...)))))_
chain: 1: _.................................................................................................((........))......_
nucl1: 20, chain1: 0, <---> nucl2: 27, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 27
nucl1: 19, chain1: 0, <---> nucl2: 28, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 28
nucl1: 37, chain1: 0, <---> nucl2: 42, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 37, chainIndex_2: 0, nuclIndex_2: 42
nucl1: 36, chain1: 0, <---> nucl2: 43, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 36, chainIndex_2: 0, nuclIndex_2: 43
nucl1: 35, chain1: 0, <---> nucl2: 44, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 35, chainIndex_2: 0, nuclIndex_2: 44
nucl1: 34, chain1: 0, <---> nucl2: 45, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 34, chainIndex_2: 0, nuclIndex_2: 45
nucl1: 73, chain1: 0, <---> nucl2: 78, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 78
nucl1: 72, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 71, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 70, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 67, chain1: 0, <---> nucl2: 86, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 67, chainIndex_2: 0, nuclIndex_2: 86
nucl1: 57, chain1: 0, <---> nucl2: 87, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 57, chainIndex_2: 0, nuclIndex_2: 87
nucl1: 56, chain1: 0, <---> nucl2: 88, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 56, chainIndex_2: 0, nuclIndex_2: 88
nucl1: 55, chain1: 0, <---> nucl2: 89, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 55, chainIndex_2: 0, nuclIndex_2: 89
nucl1: 54, chain1: 0, <---> nucl2: 90, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 54, chainIndex_2: 0, nuclIndex_2: 90
nucl1: 53, chain1: 0, <---> nucl2: 91, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 53, chainIndex_2: 0, nuclIndex_2: 91
nucl1: 52, chain1: 0, <---> nucl2: 92, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 92
nucl1: 51, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 50, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 33, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 33, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 32, chain1: 0, <---> nucl2: 105, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 32, chainIndex_2: 0, nuclIndex_2: 105
nucl1: 31, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 31, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 16, chain1: 0, <---> nucl2: 110, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 110
nucl1: 15, chain1: 0, <---> nucl2: 111, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 111
nucl1: 14, chain1: 0, <---> nucl2: 112, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 112
nucl1: 13, chain1: 0, <---> nucl2: 113, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 113
nucl1: 12, chain1: 0, <---> nucl2: 114, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 114
nucl1: 98, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 98, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 97, chain1: 0, <---> nucl2: 108, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 97, chainIndex_2: 0, nuclIndex_2: 108
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 115.000000 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: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. 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: -462.493611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.493611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.493611 (E_RNA)
where:
Base-Base interactions energy: -14.697
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.000
local terms energy: -447.796618
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -103.780
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -51.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -605.597251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.597251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.597251 (E_RNA)
where:
Base-Base interactions energy: -276.420
where: short stacking energy: -259.871
Base-Backbone interact. energy: -0.133
local terms energy: -329.044149
where:
bonds (distance) C4'-P energy: -69.449
bonds (distance) P-C4' energy: -81.277
flat angles C4'-P-C4' energy: -76.684
flat angles P-C4'-P energy: -47.879
tors. eta vs tors. theta energy: -53.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -552.998189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.998189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.998189 (E_RNA)
where:
Base-Base interactions energy: -229.966
where: short stacking energy: -227.341
Base-Backbone interact. energy: -0.266
local terms energy: -322.766117
where:
bonds (distance) C4'-P energy: -76.182
bonds (distance) P-C4' energy: -73.920
flat angles C4'-P-C4' energy: -70.992
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -57.324
Dist. restrs. and SS energy: 0.000 (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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -543.562559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.562559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.562559 (E_RNA)
where:
Base-Base interactions energy: -227.209
where: short stacking energy: -225.918
Base-Backbone interact. energy: -0.209
local terms energy: -316.145421
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -75.701
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -55.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -500.053239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.053239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.853239 (E_RNA)
where:
Base-Base interactions energy: -205.281
where: short stacking energy: -191.783
Base-Backbone interact. energy: -1.374
local terms energy: -286.198492
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -77.690
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: -7.200 (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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -467.086248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.086248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.086248 (E_RNA)
where:
Base-Base interactions energy: -24.044
where: short stacking energy: -24.044
Base-Backbone interact. energy: -0.000
local terms energy: -443.042522
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -102.386
flat angles C4'-P-C4' energy: -84.310
flat angles P-C4'-P energy: -95.950
tors. eta vs tors. theta energy: -51.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -461.909075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.909075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.909075 (E_RNA)
where:
Base-Base interactions energy: -15.049
where: short stacking energy: -15.049
Base-Backbone interact. energy: -0.000
local terms energy: -446.860195
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.474
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -461.906950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.906950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.906950 (E_RNA)
where:
Base-Base interactions energy: -15.009
where: short stacking energy: -15.009
Base-Backbone interact. energy: -0.000
local terms energy: -446.897437
where:
bonds (distance) C4'-P energy: -111.500
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.511
tors. eta vs tors. theta energy: -51.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -462.131957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.131957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.131957 (E_RNA)
where:
Base-Base interactions energy: -15.695
where: short stacking energy: -15.695
Base-Backbone interact. energy: -0.000
local terms energy: -446.436468
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -462.129552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.129552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.129552 (E_RNA)
where:
Base-Base interactions energy: -15.693
where: short stacking energy: -15.693
Base-Backbone interact. energy: -0.000
local terms energy: -446.436468
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. 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: -462.009943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.009943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.009943 (E_RNA)
where:
Base-Base interactions energy: -15.749
where: short stacking energy: -15.749
Base-Backbone interact. energy: -0.000
local terms energy: -446.261088
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -103.766
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -96.426
tors. eta vs tors. theta energy: -51.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -643.507622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.507622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.507622 (E_RNA)
where:
Base-Base interactions energy: -277.192
where: short stacking energy: -258.092
Base-Backbone interact. energy: -0.373
local terms energy: -365.942215
where:
bonds (distance) C4'-P energy: -78.975
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -56.690
tors. eta vs tors. theta energy: -69.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -617.082963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.082963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.882963 (E_RNA)
where:
Base-Base interactions energy: -288.110
where: short stacking energy: -253.966
Base-Backbone interact. energy: -0.143
local terms energy: -321.630113
where:
bonds (distance) C4'-P energy: -76.988
bonds (distance) P-C4' energy: -74.000
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -34.339
tors. eta vs tors. theta energy: -59.898
Dist. restrs. and SS energy: -7.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -635.496281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.496281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.496281 (E_RNA)
where:
Base-Base interactions energy: -322.860
where: short stacking energy: -218.476
Base-Backbone interact. energy: -1.288
local terms energy: -284.348542
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -64.352
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -33.385
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -557.476846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.476846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.476846 (E_RNA)
where:
Base-Base interactions energy: -262.629
where: short stacking energy: -194.282
Base-Backbone interact. energy: -0.561
local terms energy: -285.286432
where:
bonds (distance) C4'-P energy: -70.002
bonds (distance) P-C4' energy: -67.598
flat angles C4'-P-C4' energy: -72.847
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: -9.000 (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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -540.220050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.220050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.220050 (E_RNA)
where:
Base-Base interactions energy: -254.642
where: short stacking energy: -173.693
Base-Backbone interact. energy: -0.352
local terms energy: -285.226236
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -66.694
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: -37.028
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -599.263208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.263208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.663208 (E_RNA)
where:
Base-Base interactions energy: -275.260
where: short stacking energy: -151.876
Base-Backbone interact. energy: 0.490
local terms energy: -266.893577
where:
bonds (distance) C4'-P energy: -74.167
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: -57.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -499.591718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.591718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.991718 (E_RNA)
where:
Base-Base interactions energy: -221.189
where: short stacking energy: -150.275
Base-Backbone interact. energy: -0.773
local terms energy: -238.029524
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -402.405573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.405573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.205573 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -113.456
Base-Backbone interact. energy: 0.255
local terms energy: -212.783415
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -63.004
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: -25.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -434.342971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.342971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.142971 (E_RNA)
where:
Base-Base interactions energy: -188.173
where: short stacking energy: -103.223
Base-Backbone interact. energy: 0.720
local terms energy: -203.689991
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -60.780
flat angles C4'-P-C4' energy: -52.226
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: 2.890
Dist. restrs. and SS energy: -43.200 (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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -406.781789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.781789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.181789 (E_RNA)
where:
Base-Base interactions energy: -174.974
where: short stacking energy: -121.604
Base-Backbone interact. energy: -1.542
local terms energy: -199.666058
where:
bonds (distance) C4'-P energy: -59.696
bonds (distance) P-C4' energy: -59.272
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -633.242833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.242833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.442833 (E_RNA)
where:
Base-Base interactions energy: -294.101
where: short stacking energy: -245.401
Base-Backbone interact. energy: -0.726
local terms energy: -336.615515
where:
bonds (distance) C4'-P energy: -77.046
bonds (distance) P-C4' energy: -86.946
flat angles C4'-P-C4' energy: -76.799
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -50.168
Dist. restrs. and SS energy: -1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -686.655645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.655645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.855645 (E_RNA)
where:
Base-Base interactions energy: -334.748
where: short stacking energy: -242.115
Base-Backbone interact. energy: -0.762
local terms energy: -322.345889
where:
bonds (distance) C4'-P energy: -73.723
bonds (distance) P-C4' energy: -73.031
flat angles C4'-P-C4' energy: -71.956
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -55.636
Dist. restrs. and SS energy: -28.800 (S_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: 4
Temperature: 1.000000
Total energy: -754.801274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.801274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.401274 (E_RNA)
where:
Base-Base interactions energy: -394.549
where: short stacking energy: -232.547
Base-Backbone interact. energy: -0.993
local terms energy: -317.858575
where:
bonds (distance) C4'-P energy: -62.831
bonds (distance) P-C4' energy: -83.846
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -58.350
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -649.881778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.881778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.481778 (E_RNA)
where:
Base-Base interactions energy: -347.971
where: short stacking energy: -196.657
Base-Backbone interact. energy: 2.791
local terms energy: -281.302410
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -49.436
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -862.498880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.498880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.698880 (E_RNA)
where:
Base-Base interactions energy: -456.561
where: short stacking energy: -213.363
Base-Backbone interact. energy: 4.049
local terms energy: -282.187059
where:
bonds (distance) C4'-P energy: -61.550
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -50.243
tors. eta vs tors. theta energy: -47.795
Dist. restrs. and SS energy: -127.800 (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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -569.601577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.601577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.801577 (E_RNA)
where:
Base-Base interactions energy: -299.849
where: short stacking energy: -185.926
Base-Backbone interact. energy: 1.442
local terms energy: -269.393773
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -74.755
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -39.975
Dist. restrs. and SS energy: -1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -553.715411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.715411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.315411 (E_RNA)
where:
Base-Base interactions energy: -272.062
where: short stacking energy: -140.997
Base-Backbone interact. energy: 4.834
local terms energy: -227.088376
where:
bonds (distance) C4'-P energy: -47.381
bonds (distance) P-C4' energy: -66.891
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -38.486
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: -59.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -496.543905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.543905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.143905 (E_RNA)
where:
Base-Base interactions energy: -224.365
where: short stacking energy: -111.205
Base-Backbone interact. energy: -1.870
local terms energy: -219.909358
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -61.084
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: 4.806
Dist. restrs. and SS energy: -50.400 (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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -455.938424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.938424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.738424 (E_RNA)
where:
Base-Base interactions energy: -185.796
where: short stacking energy: -89.109
Base-Backbone interact. energy: 4.713
local terms energy: -204.655761
where:
bonds (distance) C4'-P energy: -62.594
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: 16.350
Dist. restrs. and SS energy: -70.200 (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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -445.399611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.399611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.199611 (E_RNA)
where:
Base-Base interactions energy: -216.464
where: short stacking energy: -110.263
Base-Backbone interact. energy: 6.357
local terms energy: -192.092805
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: 4.905
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -727.276343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.276343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.276343 (E_RNA)
where:
Base-Base interactions energy: -379.109
where: short stacking energy: -267.115
Base-Backbone interact. energy: 1.184
local terms energy: -322.350750
where:
bonds (distance) C4'-P energy: -78.365
bonds (distance) P-C4' energy: -66.596
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: -65.046
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -766.720585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.720585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.520585 (E_RNA)
where:
Base-Base interactions energy: -414.621
where: short stacking energy: -214.943
Base-Backbone interact. energy: -0.558
local terms energy: -308.341504
where:
bonds (distance) C4'-P energy: -69.834
bonds (distance) P-C4' energy: -73.358
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -48.591
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -714.208552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.208552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.408552 (E_RNA)
where:
Base-Base interactions energy: -368.351
where: short stacking energy: -257.106
Base-Backbone interact. energy: -1.346
local terms energy: -315.711395
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -71.855
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -62.730
Dist. restrs. and SS energy: -28.800 (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: 5
Temperature: 1.050000
Total energy: -1003.794367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.794367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.594367 (E_RNA)
where:
Base-Base interactions energy: -593.371
where: short stacking energy: -253.850
Base-Backbone interact. energy: -1.540
local terms energy: -266.683530
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -71.397
flat angles C4'-P-C4' energy: -60.040
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -50.833
Dist. restrs. and SS energy: -142.200 (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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -686.832660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.832660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.032660 (E_RNA)
where:
Base-Base interactions energy: -375.429
where: short stacking energy: -209.517
Base-Backbone interact. energy: -0.477
local terms energy: -282.126011
where:
bonds (distance) C4'-P energy: -65.541
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -636.004969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.004969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.404969 (E_RNA)
where:
Base-Base interactions energy: -345.882
where: short stacking energy: -169.554
Base-Backbone interact. energy: -0.835
local terms energy: -231.688531
where:
bonds (distance) C4'-P energy: -51.646
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -53.342
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -29.724
Dist. restrs. and SS energy: -57.600 (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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -500.853098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.853098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.053098 (E_RNA)
where:
Base-Base interactions energy: -241.952
where: short stacking energy: -146.244
Base-Backbone interact. energy: 2.524
local terms energy: -259.624602
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -72.958
flat angles C4'-P-C4' energy: -68.670
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -25.685
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: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -620.161853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.161853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.561853 (E_RNA)
where:
Base-Base interactions energy: -299.498
where: short stacking energy: -136.877
Base-Backbone interact. energy: -0.106
local terms energy: -226.958191
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -64.190
flat angles C4'-P-C4' energy: -54.874
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -532.330478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.330478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.330478 (E_RNA)
where:
Base-Base interactions energy: -261.755
where: short stacking energy: -146.475
Base-Backbone interact. energy: -1.568
local terms energy: -206.007891
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: -63.000 (S_DIST_RNA)
chem. 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: -435.264572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.264572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.864572 (E_RNA)
where:
Base-Base interactions energy: -173.855
where: short stacking energy: -98.091
Base-Backbone interact. energy: 0.937
local terms energy: -220.946580
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -66.156
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: 14.546
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -770.965679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.965679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.365679 (E_RNA)
where:
Base-Base interactions energy: -401.422
where: short stacking energy: -284.775
Base-Backbone interact. energy: 0.065
local terms energy: -339.008638
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -64.192
flat angles P-C4'-P energy: -56.948
tors. eta vs tors. theta energy: -77.057
Dist. restrs. and SS energy: -30.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -841.155705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.155705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.155705 (E_RNA)
where:
Base-Base interactions energy: -462.182
where: short stacking energy: -243.695
Base-Backbone interact. energy: 0.208
local terms energy: -334.181758
where:
bonds (distance) C4'-P energy: -78.723
bonds (distance) P-C4' energy: -71.270
flat angles C4'-P-C4' energy: -75.407
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -61.426
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1121.147906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.147906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.747906 (E_RNA)
where:
Base-Base interactions energy: -647.756
where: short stacking energy: -277.701
Base-Backbone interact. energy: 0.535
local terms energy: -324.527495
where:
bonds (distance) C4'-P energy: -60.166
bonds (distance) P-C4' energy: -69.551
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -53.608
tors. eta vs tors. theta energy: -66.431
Dist. restrs. and SS energy: -149.400 (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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -734.031000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.031000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.831000 (E_RNA)
where:
Base-Base interactions energy: -376.257
where: short stacking energy: -216.647
Base-Backbone interact. energy: -2.964
local terms energy: -320.609437
where:
bonds (distance) C4'-P energy: -67.356
bonds (distance) P-C4' energy: -74.693
flat angles C4'-P-C4' energy: -83.156
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: -34.200 (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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -763.691353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.691353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.491353 (E_RNA)
where:
Base-Base interactions energy: -406.798
where: short stacking energy: -202.781
Base-Backbone interact. energy: -2.397
local terms energy: -284.296146
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -61.316
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: -38.939
Dist. restrs. and SS energy: -70.200 (S_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: 6
Temperature: 1.150000
Total energy: -734.289661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.289661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.889661 (E_RNA)
where:
Base-Base interactions energy: -410.101
where: short stacking energy: -208.569
Base-Backbone interact. energy: -0.790
local terms energy: -281.998465
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -720.024563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.024563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.624563 (E_RNA)
where:
Base-Base interactions energy: -372.087
where: short stacking energy: -179.649
Base-Backbone interact. energy: -1.240
local terms energy: -233.297209
where:
bonds (distance) C4'-P energy: -63.906
bonds (distance) P-C4' energy: -69.553
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: -113.400 (S_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: 6
Temperature: 1.250000
Total energy: -465.065437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.065437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.065437 (E_RNA)
where:
Base-Base interactions energy: -245.476
where: short stacking energy: -152.135
Base-Backbone interact. energy: 1.220
local terms energy: -220.809284
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: -0.000 (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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -554.669018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.669018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.069018 (E_RNA)
where:
Base-Base interactions energy: -263.423
where: short stacking energy: -142.907
Base-Backbone interact. energy: 1.751
local terms energy: -235.397197
where:
bonds (distance) C4'-P energy: -65.457
bonds (distance) P-C4' energy: -58.981
flat angles C4'-P-C4' energy: -60.349
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: -57.600 (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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -473.228906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.228906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.028906 (E_RNA)
where:
Base-Base interactions energy: -228.109
where: short stacking energy: -133.189
Base-Backbone interact. energy: -1.464
local terms energy: -209.455186
where:
bonds (distance) C4'-P energy: -65.414
bonds (distance) P-C4' energy: -57.433
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. 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: -782.260891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.260891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.860891 (E_RNA)
where:
Base-Base interactions energy: -415.112
where: short stacking energy: -300.581
Base-Backbone interact. energy: 1.155
local terms energy: -335.903662
where:
bonds (distance) C4'-P energy: -74.565
bonds (distance) P-C4' energy: -69.747
flat angles C4'-P-C4' energy: -78.464
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -73.229
Dist. restrs. and SS energy: -32.400 (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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1199.559577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.559577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.759577 (E_RNA)
where:
Base-Base interactions energy: -722.547
where: short stacking energy: -292.750
Base-Backbone interact. energy: -1.202
local terms energy: -330.010395
where:
bonds (distance) C4'-P energy: -76.126
bonds (distance) P-C4' energy: -76.753
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -64.896
Dist. restrs. and SS energy: -145.800 (S_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: 7
Temperature: 1.000000
Total energy: -870.537996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.537996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.737996 (E_RNA)
where:
Base-Base interactions energy: -514.487
where: short stacking energy: -242.386
Base-Backbone interact. energy: -1.507
local terms energy: -307.743848
where:
bonds (distance) C4'-P energy: -68.140
bonds (distance) P-C4' energy: -75.343
flat angles C4'-P-C4' energy: -76.136
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: -48.838
Dist. restrs. and SS energy: -46.800 (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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -874.743943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.743943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.343943 (E_RNA)
where:
Base-Base interactions energy: -485.817
where: short stacking energy: -238.195
Base-Backbone interact. energy: -0.573
local terms energy: -310.953929
where:
bonds (distance) C4'-P energy: -69.831
bonds (distance) P-C4' energy: -73.277
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -54.211
Dist. restrs. and SS energy: -77.400 (S_DIST_RNA)
chem. 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: -699.428970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.428970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.028970 (E_RNA)
where:
Base-Base interactions energy: -402.398
where: short stacking energy: -206.986
Base-Backbone interact. energy: 0.364
local terms energy: -264.995019
where:
bonds (distance) C4'-P energy: -62.874
bonds (distance) P-C4' energy: -69.007
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -32.996
tors. eta vs tors. theta energy: -31.015
Dist. restrs. and SS energy: -32.400 (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: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -736.737892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.737892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.337892 (E_RNA)
where:
Base-Base interactions energy: -419.793
where: short stacking energy: -193.682
Base-Backbone interact. energy: -0.771
local terms energy: -274.773836
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -72.316
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -40.560
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -794.935832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.935832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.135832 (E_RNA)
where:
Base-Base interactions energy: -415.662
where: short stacking energy: -190.630
Base-Backbone interact. energy: 3.533
local terms energy: -255.006180
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -69.402
flat angles C4'-P-C4' energy: -58.401
flat angles P-C4'-P energy: -48.777
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -744.917094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.917094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.517094 (E_RNA)
where:
Base-Base interactions energy: -447.112
where: short stacking energy: -189.910
Base-Backbone interact. energy: -2.333
local terms energy: -209.071369
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -431.534736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.534736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.534736 (E_RNA)
where:
Base-Base interactions energy: -216.174
where: short stacking energy: -129.612
Base-Backbone interact. energy: -0.867
local terms energy: -205.493608
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -60.111
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: -9.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -496.014290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.014290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.214290 (E_RNA)
where:
Base-Base interactions energy: -247.600
where: short stacking energy: -125.005
Base-Backbone interact. energy: 1.238
local terms energy: -202.852829
where:
bonds (distance) C4'-P energy: -51.804
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -53.435
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1242.830643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.830643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.430643 (E_RNA)
where:
Base-Base interactions energy: -756.411
where: short stacking energy: -308.343
Base-Backbone interact. energy: -3.162
local terms energy: -333.857195
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: -149.400 (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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -744.884083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.884083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.084083 (E_RNA)
where:
Base-Base interactions energy: -396.079
where: short stacking energy: -242.990
Base-Backbone interact. energy: -0.537
local terms energy: -319.468799
where:
bonds (distance) C4'-P energy: -68.096
bonds (distance) P-C4' energy: -75.557
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: -28.800 (S_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: 8
Temperature: 1.000000
Total energy: -869.530226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.530226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.330226 (E_RNA)
where:
Base-Base interactions energy: -510.213
where: short stacking energy: -239.637
Base-Backbone interact. energy: 0.490
local terms energy: -316.607513
where:
bonds (distance) C4'-P energy: -79.425
bonds (distance) P-C4' energy: -67.006
flat angles C4'-P-C4' energy: -65.425
flat angles P-C4'-P energy: -48.969
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: -43.200 (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: 6
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -898.150770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.150770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.750770 (E_RNA)
where:
Base-Base interactions energy: -530.287
where: short stacking energy: -266.287
Base-Backbone interact. energy: -0.474
local terms energy: -280.989437
where:
bonds (distance) C4'-P energy: -47.634
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -77.898
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: -86.400 (S_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: 8
Temperature: 1.100000
Total energy: -728.860574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.860574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.660574 (E_RNA)
where:
Base-Base interactions energy: -407.469
where: short stacking energy: -189.798
Base-Backbone interact. energy: -0.242
local terms energy: -277.949773
where:
bonds (distance) C4'-P energy: -61.010
bonds (distance) P-C4' energy: -62.703
flat angles C4'-P-C4' energy: -73.021
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. 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: -681.897915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.897915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.897915 (E_RNA)
where:
Base-Base interactions energy: -388.808
where: short stacking energy: -186.467
Base-Backbone interact. energy: -3.329
local terms energy: -253.760603
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: -36.000 (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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -804.408086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.408086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.208086 (E_RNA)
where:
Base-Base interactions energy: -430.715
where: short stacking energy: -186.144
Base-Backbone interact. energy: -1.274
local terms energy: -239.218911
where:
bonds (distance) C4'-P energy: -66.285
bonds (distance) P-C4' energy: -72.405
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: -133.200 (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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -774.179195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.179195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.979195 (E_RNA)
where:
Base-Base interactions energy: -405.395
where: short stacking energy: -180.816
Base-Backbone interact. energy: -0.672
local terms energy: -279.912360
where:
bonds (distance) C4'-P energy: -65.981
bonds (distance) P-C4' energy: -61.318
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -41.410
Dist. restrs. and SS energy: -88.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -598.979184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.179184 (E_RNA)
where:
Base-Base interactions energy: -311.277
where: short stacking energy: -153.619
Base-Backbone interact. energy: -1.473
local terms energy: -230.428967
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -53.090
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -420.643605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.643605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.843605 (E_RNA)
where:
Base-Base interactions energy: -195.882
where: short stacking energy: -117.676
Base-Backbone interact. energy: -0.670
local terms energy: -195.291187
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -55.058
flat angles P-C4'-P energy: -29.778
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1246.774773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.774773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.574773 (E_RNA)
where:
Base-Base interactions energy: -765.961
where: short stacking energy: -333.777
Base-Backbone interact. energy: -1.623
local terms energy: -327.990266
where:
bonds (distance) C4'-P energy: -70.108
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -68.833
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -76.417
Dist. restrs. and SS energy: -151.200 (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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -906.575263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.575263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.375263 (E_RNA)
where:
Base-Base interactions energy: -555.101
where: short stacking energy: -280.065
Base-Backbone interact. energy: 0.792
local terms energy: -309.067024
where:
bonds (distance) C4'-P energy: -61.182
bonds (distance) P-C4' energy: -68.988
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -67.787
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -685.510173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.510173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.510173 (E_RNA)
where:
Base-Base interactions energy: -346.143
where: short stacking energy: -212.444
Base-Backbone interact. energy: -1.523
local terms energy: -301.843950
where:
bonds (distance) C4'-P energy: -73.480
bonds (distance) P-C4' energy: -71.712
flat angles C4'-P-C4' energy: -66.211
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -45.251
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -933.785713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.785713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.385713 (E_RNA)
where:
Base-Base interactions energy: -547.058
where: short stacking energy: -248.208
Base-Backbone interact. energy: -2.154
local terms energy: -298.173758
where:
bonds (distance) C4'-P energy: -65.099
bonds (distance) P-C4' energy: -72.992
flat angles C4'-P-C4' energy: -66.307
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -45.425
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -750.087950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.087950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.287950 (E_RNA)
where:
Base-Base interactions energy: -409.289
where: short stacking energy: -191.066
Base-Backbone interact. energy: -1.772
local terms energy: -292.227482
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -68.404
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: -46.800 (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: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -883.129691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.129691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.529691 (E_RNA)
where:
Base-Base interactions energy: -482.402
where: short stacking energy: -226.534
Base-Backbone interact. energy: -2.445
local terms energy: -259.682711
where:
bonds (distance) C4'-P energy: -54.514
bonds (distance) P-C4' energy: -61.453
flat angles C4'-P-C4' energy: -65.967
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -40.651
Dist. restrs. and SS energy: -138.600 (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: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -627.822706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.822706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.822706 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -180.795
Base-Backbone interact. energy: 0.982
local terms energy: -253.644231
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -44.931
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -786.169381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.169381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.569381 (E_RNA)
where:
Base-Base interactions energy: -454.416
where: short stacking energy: -199.139
Base-Backbone interact. energy: -1.715
local terms energy: -236.437971
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -42.774
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -46.238
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: -93.600 (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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -636.536090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.536090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.736090 (E_RNA)
where:
Base-Base interactions energy: -331.625
where: short stacking energy: -150.507
Base-Backbone interact. energy: 0.465
local terms energy: -240.575866
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -62.552
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: -64.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -449.879835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.879835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.679835 (E_RNA)
where:
Base-Base interactions energy: -238.204
where: short stacking energy: -114.622
Base-Backbone interact. energy: -0.247
local terms energy: -186.228857
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -59.408
flat angles C4'-P-C4' energy: -49.679
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: -25.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1217.227511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.227511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.827511 (E_RNA)
where:
Base-Base interactions energy: -730.017
where: short stacking energy: -311.766
Base-Backbone interact. energy: -2.546
local terms energy: -335.264389
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -68.431
flat angles C4'-P-C4' energy: -78.052
flat angles P-C4'-P energy: -52.484
tors. eta vs tors. theta energy: -72.258
Dist. restrs. and SS energy: -149.400 (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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -927.160766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.160766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.960766 (E_RNA)
where:
Base-Base interactions energy: -542.393
where: short stacking energy: -260.839
Base-Backbone interact. energy: -0.855
local terms energy: -340.712316
where:
bonds (distance) C4'-P energy: -75.905
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -80.123
flat angles P-C4'-P energy: -40.632
tors. eta vs tors. theta energy: -67.745
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -997.228406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.228406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.628406 (E_RNA)
where:
Base-Base interactions energy: -575.883
where: short stacking energy: -284.246
Base-Backbone interact. energy: 0.437
local terms energy: -337.182564
where:
bonds (distance) C4'-P energy: -66.007
bonds (distance) P-C4' energy: -74.045
flat angles C4'-P-C4' energy: -81.183
flat angles P-C4'-P energy: -50.578
tors. eta vs tors. theta energy: -65.369
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -728.736527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.736527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.336527 (E_RNA)
where:
Base-Base interactions energy: -384.025
where: short stacking energy: -205.649
Base-Backbone interact. energy: 0.811
local terms energy: -304.122114
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -75.384
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -50.152
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -945.449624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.449624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.849624 (E_RNA)
where:
Base-Base interactions energy: -506.302
where: short stacking energy: -230.181
Base-Backbone interact. energy: 1.895
local terms energy: -302.442623
where:
bonds (distance) C4'-P energy: -71.154
bonds (distance) P-C4' energy: -72.671
flat angles C4'-P-C4' energy: -69.541
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -48.955
Dist. restrs. and SS energy: -138.600 (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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -690.811073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.811073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.411073 (E_RNA)
where:
Base-Base interactions energy: -382.944
where: short stacking energy: -178.826
Base-Backbone interact. energy: 0.176
local terms energy: -257.643298
where:
bonds (distance) C4'-P energy: -55.228
bonds (distance) P-C4' energy: -66.095
flat angles C4'-P-C4' energy: -62.956
flat angles P-C4'-P energy: -45.137
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -895.975904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.975904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.975904 (E_RNA)
where:
Base-Base interactions energy: -517.010
where: short stacking energy: -230.944
Base-Backbone interact. energy: -0.436
local terms energy: -288.529893
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -59.182
flat angles P-C4'-P energy: -47.057
tors. eta vs tors. theta energy: -50.127
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -626.319585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.319585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.119585 (E_RNA)
where:
Base-Base interactions energy: -326.460
where: short stacking energy: -167.922
Base-Backbone interact. energy: -2.495
local terms energy: -254.164754
where:
bonds (distance) C4'-P energy: -66.077
bonds (distance) P-C4' energy: -67.830
flat angles C4'-P-C4' energy: -61.739
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -608.703626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.703626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.703626 (E_RNA)
where:
Base-Base interactions energy: -335.967
where: short stacking energy: -145.877
Base-Backbone interact. energy: -2.178
local terms energy: -198.558196
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -45.915
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: -72.000 (S_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: 10
Temperature: 1.350000
Total energy: -388.279344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.279344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.279344 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -99.161
Base-Backbone interact. energy: 4.444
local terms energy: -197.756370
where:
bonds (distance) C4'-P energy: -65.987
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -36.630
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: -36.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1207.092554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.092554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.892554 (E_RNA)
where:
Base-Base interactions energy: -723.668
where: short stacking energy: -307.866
Base-Backbone interact. energy: -0.940
local terms energy: -331.284628
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -69.737
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -72.141
Dist. restrs. and SS energy: -151.200 (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: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -991.021171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.021171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.821171 (E_RNA)
where:
Base-Base interactions energy: -568.099
where: short stacking energy: -277.719
Base-Backbone interact. energy: 0.340
local terms energy: -344.061797
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -78.246
flat angles C4'-P-C4' energy: -79.244
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: -79.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -951.732753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.732753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.532753 (E_RNA)
where:
Base-Base interactions energy: -595.458
where: short stacking energy: -267.397
Base-Backbone interact. energy: -0.951
local terms energy: -312.123371
where:
bonds (distance) C4'-P energy: -72.691
bonds (distance) P-C4' energy: -60.254
flat angles C4'-P-C4' energy: -74.841
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -58.515
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -988.752488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.752488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.152488 (E_RNA)
where:
Base-Base interactions energy: -542.053
where: short stacking energy: -243.423
Base-Backbone interact. energy: 1.999
local terms energy: -310.098096
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -69.594
flat angles C4'-P-C4' energy: -67.736
flat angles P-C4'-P energy: -50.552
tors. eta vs tors. theta energy: -51.090
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -666.112602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.112602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.912602 (E_RNA)
where:
Base-Base interactions energy: -344.692
where: short stacking energy: -180.817
Base-Backbone interact. energy: 1.851
local terms energy: -280.071907
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -67.725
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -916.708217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.708217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.708217 (E_RNA)
where:
Base-Base interactions energy: -538.604
where: short stacking energy: -235.484
Base-Backbone interact. energy: -1.167
local terms energy: -286.937121
where:
bonds (distance) C4'-P energy: -56.966
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -82.229
flat angles P-C4'-P energy: -32.310
tors. eta vs tors. theta energy: -54.252
Dist. restrs. and SS energy: -90.000 (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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -702.757934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.757934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.957934 (E_RNA)
where:
Base-Base interactions energy: -406.998
where: short stacking energy: -182.385
Base-Backbone interact. energy: -0.305
local terms energy: -239.655100
where:
bonds (distance) C4'-P energy: -54.769
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -628.900196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.900196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.500196 (E_RNA)
where:
Base-Base interactions energy: -345.526
where: short stacking energy: -180.556
Base-Backbone interact. energy: -0.852
local terms energy: -250.121635
where:
bonds (distance) C4'-P energy: -61.360
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -41.081
tors. eta vs tors. theta energy: -35.732
Dist. restrs. and SS energy: -32.400 (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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -563.118982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.118982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.718982 (E_RNA)
where:
Base-Base interactions energy: -303.204
where: short stacking energy: -135.618
Base-Backbone interact. energy: 1.128
local terms energy: -219.642659
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -75.421
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -456.013581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.213581 (E_RNA)
where:
Base-Base interactions energy: -200.172
where: short stacking energy: -94.598
Base-Backbone interact. energy: 0.335
local terms energy: -209.376310
where:
bonds (distance) C4'-P energy: -59.200
bonds (distance) P-C4' energy: -60.602
flat angles C4'-P-C4' energy: -58.676
flat angles P-C4'-P energy: -33.125
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1219.108352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.908352 (E_RNA)
where:
Base-Base interactions energy: -719.658
where: short stacking energy: -292.199
Base-Backbone interact. energy: -1.924
local terms energy: -346.326665
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -84.524
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -53.263
tors. eta vs tors. theta energy: -66.277
Dist. restrs. and SS energy: -151.200 (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: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -998.286214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.286214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.486214 (E_RNA)
where:
Base-Base interactions energy: -582.379
where: short stacking energy: -274.798
Base-Backbone interact. energy: -0.875
local terms energy: -332.231937
where:
bonds (distance) C4'-P energy: -71.865
bonds (distance) P-C4' energy: -71.448
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -45.949
tors. eta vs tors. theta energy: -63.523
Dist. restrs. and SS energy: -82.800 (S_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: 12
Temperature: 1.000000
Total energy: -979.948847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.948847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.748847 (E_RNA)
where:
Base-Base interactions energy: -591.286
where: short stacking energy: -262.470
Base-Backbone interact. energy: 0.096
local terms energy: -345.558687
where:
bonds (distance) C4'-P energy: -76.473
bonds (distance) P-C4' energy: -76.591
flat angles C4'-P-C4' energy: -72.821
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -69.742
Dist. restrs. and SS energy: -43.200 (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: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1036.639219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.639219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.439219 (E_RNA)
where:
Base-Base interactions energy: -578.406
where: short stacking energy: -280.578
Base-Backbone interact. energy: -1.450
local terms energy: -314.582477
where:
bonds (distance) C4'-P energy: -78.314
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -73.305
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -56.248
Dist. restrs. and SS energy: -142.200 (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: 12
Temperature: 1.100000
Total energy: -976.619089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.619089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.019089 (E_RNA)
where:
Base-Base interactions energy: -553.380
where: short stacking energy: -268.714
Base-Backbone interact. energy: -2.981
local terms energy: -326.658138
where:
bonds (distance) C4'-P energy: -71.344
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -77.809
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -61.934
Dist. restrs. and SS energy: -93.600 (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: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -659.465089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.465089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.265089 (E_RNA)
where:
Base-Base interactions energy: -371.316
where: short stacking energy: -147.263
Base-Backbone interact. energy: -2.143
local terms energy: -242.805845
where:
bonds (distance) C4'-P energy: -71.265
bonds (distance) P-C4' energy: -62.781
flat angles C4'-P-C4' energy: -73.640
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: -43.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -655.735998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.735998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.735998 (E_RNA)
where:
Base-Base interactions energy: -331.275
where: short stacking energy: -154.677
Base-Backbone interact. energy: -1.442
local terms energy: -278.018763
where:
bonds (distance) C4'-P energy: -70.357
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -62.602
flat angles P-C4'-P energy: -44.445
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -696.172851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.172851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.772851 (E_RNA)
where:
Base-Base interactions energy: -363.360
where: short stacking energy: -178.125
Base-Backbone interact. energy: -2.485
local terms energy: -279.927975
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -73.447
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: -50.400 (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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -651.491649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.491649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.291649 (E_RNA)
where:
Base-Base interactions energy: -360.794
where: short stacking energy: -160.603
Base-Backbone interact. energy: -2.003
local terms energy: -245.495054
where:
bonds (distance) C4'-P energy: -62.905
bonds (distance) P-C4' energy: -59.854
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: -43.200 (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: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -471.138500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.138500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.138500 (E_RNA)
where:
Base-Base interactions energy: -186.741
where: short stacking energy: -92.999
Base-Backbone interact. energy: -0.147
local terms energy: -221.249895
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -43.135
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: -63.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1232.095885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.095885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.695885 (E_RNA)
where:
Base-Base interactions energy: -736.771
where: short stacking energy: -324.948
Base-Backbone interact. energy: -2.411
local terms energy: -343.514099
where:
bonds (distance) C4'-P energy: -73.448
bonds (distance) P-C4' energy: -63.838
flat angles C4'-P-C4' energy: -74.721
flat angles P-C4'-P energy: -51.390
tors. eta vs tors. theta energy: -80.117
Dist. restrs. and SS energy: -149.400 (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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1042.000575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.000575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.600575 (E_RNA)
where:
Base-Base interactions energy: -616.946
where: short stacking energy: -292.088
Base-Backbone interact. energy: -1.434
local terms energy: -346.220587
where:
bonds (distance) C4'-P energy: -67.578
bonds (distance) P-C4' energy: -75.397
flat angles C4'-P-C4' energy: -79.187
flat angles P-C4'-P energy: -52.241
tors. eta vs tors. theta energy: -71.817
Dist. restrs. and SS energy: -77.400 (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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -941.565824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.565824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.165824 (E_RNA)
where:
Base-Base interactions energy: -596.958
where: short stacking energy: -285.755
Base-Backbone interact. energy: -1.006
local terms energy: -302.201712
where:
bonds (distance) C4'-P energy: -53.085
bonds (distance) P-C4' energy: -64.620
flat angles C4'-P-C4' energy: -75.316
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -62.296
Dist. restrs. and SS energy: -41.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1041.437842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.437842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.637842 (E_RNA)
where:
Base-Base interactions energy: -597.110
where: short stacking energy: -301.161
Base-Backbone interact. energy: -1.245
local terms energy: -306.282684
where:
bonds (distance) C4'-P energy: -71.997
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -64.809
flat angles P-C4'-P energy: -42.105
tors. eta vs tors. theta energy: -64.793
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -980.543659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.543659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.943659 (E_RNA)
where:
Base-Base interactions energy: -573.389
where: short stacking energy: -263.292
Base-Backbone interact. energy: -1.260
local terms energy: -312.294045
where:
bonds (distance) C4'-P energy: -66.968
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: -69.117
Dist. restrs. and SS energy: -93.600 (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: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -624.206491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.806491 (E_RNA)
where:
Base-Base interactions energy: -352.222
where: short stacking energy: -149.359
Base-Backbone interact. energy: 1.716
local terms energy: -223.300476
where:
bonds (distance) C4'-P energy: -67.906
bonds (distance) P-C4' energy: -63.692
flat angles C4'-P-C4' energy: -43.089
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -667.772947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.772947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.572947 (E_RNA)
where:
Base-Base interactions energy: -393.078
where: short stacking energy: -186.359
Base-Backbone interact. energy: 0.488
local terms energy: -240.983462
where:
bonds (distance) C4'-P energy: -57.198
bonds (distance) P-C4' energy: -64.188
flat angles C4'-P-C4' energy: -59.499
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -27.511
Dist. restrs. and SS energy: -34.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -689.541171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.541171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.141171 (E_RNA)
where:
Base-Base interactions energy: -407.611
where: short stacking energy: -202.319
Base-Backbone interact. energy: -1.647
local terms energy: -229.883049
where:
bonds (distance) C4'-P energy: -46.498
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -34.989
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -678.874624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.874624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.274624 (E_RNA)
where:
Base-Base interactions energy: -392.464
where: short stacking energy: -170.342
Base-Backbone interact. energy: -0.818
local terms energy: -227.992779
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -61.561
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: -57.600 (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: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -614.250001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.250001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.250001 (E_RNA)
where:
Base-Base interactions energy: -310.057
where: short stacking energy: -137.322
Base-Backbone interact. energy: 3.873
local terms energy: -218.065794
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1236.360551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.360551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.760551 (E_RNA)
where:
Base-Base interactions energy: -727.607
where: short stacking energy: -320.431
Base-Backbone interact. energy: -2.741
local terms energy: -349.412844
where:
bonds (distance) C4'-P energy: -76.672
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -76.985
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1068.633226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.633226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.833226 (E_RNA)
where:
Base-Base interactions energy: -643.500
where: short stacking energy: -322.529
Base-Backbone interact. energy: 0.886
local terms energy: -343.218437
where:
bonds (distance) C4'-P energy: -75.275
bonds (distance) P-C4' energy: -68.422
flat angles C4'-P-C4' energy: -78.794
flat angles P-C4'-P energy: -46.204
tors. eta vs tors. theta energy: -74.523
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1087.056561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.056561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.456561 (E_RNA)
where:
Base-Base interactions energy: -626.682
where: short stacking energy: -300.900
Base-Backbone interact. energy: -0.642
local terms energy: -321.132589
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -66.992
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -49.420
tors. eta vs tors. theta energy: -69.085
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -902.668594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.668594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.068594 (E_RNA)
where:
Base-Base interactions energy: -554.914
where: short stacking energy: -268.097
Base-Backbone interact. energy: -0.904
local terms energy: -307.250346
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -72.729
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -60.445
Dist. restrs. and SS energy: -39.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -982.110346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.110346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.510346 (E_RNA)
where:
Base-Base interactions energy: -567.274
where: short stacking energy: -254.315
Base-Backbone interact. energy: -1.997
local terms energy: -319.239974
where:
bonds (distance) C4'-P energy: -73.171
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -60.504
Dist. restrs. and SS energy: -93.600 (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: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -672.489464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.489464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.289464 (E_RNA)
where:
Base-Base interactions energy: -369.914
where: short stacking energy: -156.638
Base-Backbone interact. energy: -0.790
local terms energy: -249.585195
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: -52.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -737.886071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.886071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.886071 (E_RNA)
where:
Base-Base interactions energy: -400.230
where: short stacking energy: -192.900
Base-Backbone interact. energy: -2.907
local terms energy: -280.748886
where:
bonds (distance) C4'-P energy: -70.490
bonds (distance) P-C4' energy: -63.769
flat angles C4'-P-C4' energy: -66.700
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -41.686
Dist. restrs. and SS energy: -54.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -630.497924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.497924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.497924 (E_RNA)
where:
Base-Base interactions energy: -346.222
where: short stacking energy: -179.963
Base-Backbone interact. energy: -1.292
local terms energy: -246.983637
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -62.402
flat angles C4'-P-C4' energy: -69.583
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: -36.000 (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: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -717.175622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.175622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.375622 (E_RNA)
where:
Base-Base interactions energy: -422.463
where: short stacking energy: -192.362
Base-Backbone interact. energy: -2.720
local terms energy: -236.192770
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -60.231
flat angles P-C4'-P energy: -33.583
tors. eta vs tors. theta energy: -41.752
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -664.353705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.353705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.953705 (E_RNA)
where:
Base-Base interactions energy: -316.285
where: short stacking energy: -119.545
Base-Backbone interact. energy: 1.048
local terms energy: -235.716726
where:
bonds (distance) C4'-P energy: -68.787
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1228.558556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.558556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.758556 (E_RNA)
where:
Base-Base interactions energy: -728.958
where: short stacking energy: -310.340
Base-Backbone interact. energy: 2.125
local terms energy: -346.925819
where:
bonds (distance) C4'-P energy: -71.982
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -80.925
flat angles P-C4'-P energy: -53.886
tors. eta vs tors. theta energy: -74.150
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1125.524146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.524146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.324146 (E_RNA)
where:
Base-Base interactions energy: -640.164
where: short stacking energy: -283.022
Base-Backbone interact. energy: -2.401
local terms energy: -331.758910
where:
bonds (distance) C4'-P energy: -71.520
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -80.397
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1062.110661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.110661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.710661 (E_RNA)
where:
Base-Base interactions energy: -637.268
where: short stacking energy: -312.454
Base-Backbone interact. energy: -0.024
local terms energy: -347.418457
where:
bonds (distance) C4'-P energy: -65.850
bonds (distance) P-C4' energy: -70.871
flat angles C4'-P-C4' energy: -75.467
flat angles P-C4'-P energy: -53.206
tors. eta vs tors. theta energy: -82.023
Dist. restrs. and SS energy: -77.400 (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: 15
Temperature: 1.050000
Total energy: -986.324043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.324043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.324043 (E_RNA)
where:
Base-Base interactions energy: -566.967
where: short stacking energy: -276.208
Base-Backbone interact. energy: 3.325
local terms energy: -332.682005
where:
bonds (distance) C4'-P energy: -76.239
bonds (distance) P-C4' energy: -65.461
flat angles C4'-P-C4' energy: -70.447
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -70.952
Dist. restrs. and SS energy: -90.000 (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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -854.339089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.339089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.139089 (E_RNA)
where:
Base-Base interactions energy: -500.430
where: short stacking energy: -224.869
Base-Backbone interact. energy: -0.847
local terms energy: -309.861925
where:
bonds (distance) C4'-P energy: -65.710
bonds (distance) P-C4' energy: -60.315
flat angles C4'-P-C4' energy: -70.555
flat angles P-C4'-P energy: -57.786
tors. eta vs tors. theta energy: -55.496
Dist. restrs. and SS energy: -43.200 (S_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: 15
Temperature: 1.150000
Total energy: -754.057893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.057893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.657893 (E_RNA)
where:
Base-Base interactions energy: -445.700
where: short stacking energy: -210.684
Base-Backbone interact. energy: 0.708
local terms energy: -258.666007
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -55.825
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -661.486880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.486880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.486880 (E_RNA)
where:
Base-Base interactions energy: -384.460
where: short stacking energy: -166.689
Base-Backbone interact. energy: 0.223
local terms energy: -232.250023
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -70.704
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -760.082367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.082367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.482367 (E_RNA)
where:
Base-Base interactions energy: -435.349
where: short stacking energy: -180.359
Base-Backbone interact. energy: -2.750
local terms energy: -264.382633
where:
bonds (distance) C4'-P energy: -71.434
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -62.964
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: -57.600 (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: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -577.684976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.684976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.884976 (E_RNA)
where:
Base-Base interactions energy: -305.960
where: short stacking energy: -143.593
Base-Backbone interact. energy: 5.944
local terms energy: -248.869354
where:
bonds (distance) C4'-P energy: -68.627
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -718.278375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.278375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.278375 (E_RNA)
where:
Base-Base interactions energy: -409.063
where: short stacking energy: -160.358
Base-Backbone interact. energy: 3.794
local terms energy: -196.009221
where:
bonds (distance) C4'-P energy: -54.869
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: -117.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1219.911047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.911047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.111047 (E_RNA)
where:
Base-Base interactions energy: -692.336
where: short stacking energy: -310.494
Base-Backbone interact. energy: -0.354
local terms energy: -372.421253
where:
bonds (distance) C4'-P energy: -79.189
bonds (distance) P-C4' energy: -77.856
flat angles C4'-P-C4' energy: -81.930
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: -77.215
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1129.479327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.479327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.279327 (E_RNA)
where:
Base-Base interactions energy: -643.268
where: short stacking energy: -314.823
Base-Backbone interact. energy: -1.681
local terms energy: -333.329988
where:
bonds (distance) C4'-P energy: -69.307
bonds (distance) P-C4' energy: -68.656
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -76.236
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1074.811360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.811360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.011360 (E_RNA)
where:
Base-Base interactions energy: -659.689
where: short stacking energy: -291.448
Base-Backbone interact. energy: 0.243
local terms energy: -332.565792
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -67.793
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -52.834
tors. eta vs tors. theta energy: -73.361
Dist. restrs. and SS energy: -82.800 (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: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1009.288057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.288057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.088057 (E_RNA)
where:
Base-Base interactions energy: -590.571
where: short stacking energy: -292.983
Base-Backbone interact. energy: -1.359
local terms energy: -320.157612
where:
bonds (distance) C4'-P energy: -61.399
bonds (distance) P-C4' energy: -59.837
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -76.784
Dist. restrs. and SS energy: -97.200 (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: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -860.008052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.008052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.608052 (E_RNA)
where:
Base-Base interactions energy: -494.770
where: short stacking energy: -247.518
Base-Backbone interact. energy: 0.505
local terms energy: -315.343609
where:
bonds (distance) C4'-P energy: -72.431
bonds (distance) P-C4' energy: -61.667
flat angles C4'-P-C4' energy: -68.122
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -65.971
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -750.679244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.679244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.879244 (E_RNA)
where:
Base-Base interactions energy: -420.537
where: short stacking energy: -214.046
Base-Backbone interact. energy: -1.015
local terms energy: -273.326932
where:
bonds (distance) C4'-P energy: -55.750
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -72.313
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -37.444
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -838.930498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.930498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.930498 (E_RNA)
where:
Base-Base interactions energy: -522.442
where: short stacking energy: -211.275
Base-Backbone interact. energy: 4.368
local terms energy: -257.856635
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -44.312
Dist. restrs. and SS energy: -63.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -597.729539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.729539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.729539 (E_RNA)
where:
Base-Base interactions energy: -331.997
where: short stacking energy: -153.144
Base-Backbone interact. energy: 2.491
local terms energy: -223.223504
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -62.420
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: -45.000 (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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -799.366599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.366599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.766599 (E_RNA)
where:
Base-Base interactions energy: -424.442
where: short stacking energy: -174.346
Base-Backbone interact. energy: 0.790
local terms energy: -246.114479
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: -129.600 (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: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -591.065461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.065461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.265461 (E_RNA)
where:
Base-Base interactions energy: -321.150
where: short stacking energy: -163.334
Base-Backbone interact. energy: -1.183
local terms energy: -239.932535
where:
bonds (distance) C4'-P energy: -61.266
bonds (distance) P-C4' energy: -62.382
flat angles C4'-P-C4' energy: -49.870
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -34.387
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1243.702210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.702210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.102210 (E_RNA)
where:
Base-Base interactions energy: -758.870
where: short stacking energy: -321.334
Base-Backbone interact. energy: -1.917
local terms energy: -326.315224
where:
bonds (distance) C4'-P energy: -70.383
bonds (distance) P-C4' energy: -72.834
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -68.222
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1146.329684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.329684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.729684 (E_RNA)
where:
Base-Base interactions energy: -669.609
where: short stacking energy: -295.706
Base-Backbone interact. energy: -1.276
local terms energy: -327.845161
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -71.066
flat angles P-C4'-P energy: -51.462
tors. eta vs tors. theta energy: -73.854
Dist. restrs. and SS energy: -147.600 (S_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: 17
Temperature: 1.000000
Total energy: -1065.627116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.627116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.827116 (E_RNA)
where:
Base-Base interactions energy: -639.532
where: short stacking energy: -302.516
Base-Backbone interact. energy: 2.948
local terms energy: -346.243511
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -71.314
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -79.380
Dist. restrs. and SS energy: -82.800 (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: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1042.903338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.903338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.303338 (E_RNA)
where:
Base-Base interactions energy: -603.738
where: short stacking energy: -289.721
Base-Backbone interact. energy: 1.993
local terms energy: -338.558501
where:
bonds (distance) C4'-P energy: -66.575
bonds (distance) P-C4' energy: -64.017
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -81.966
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -836.697937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.697937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.297937 (E_RNA)
where:
Base-Base interactions energy: -496.854
where: short stacking energy: -227.710
Base-Backbone interact. energy: 0.101
local terms energy: -289.544807
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -66.783
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -44.603
Dist. restrs. and SS energy: -50.400 (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: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -902.398369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.398369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.998369 (E_RNA)
where:
Base-Base interactions energy: -560.294
where: short stacking energy: -237.094
Base-Backbone interact. energy: 0.310
local terms energy: -283.014748
where:
bonds (distance) C4'-P energy: -58.914
bonds (distance) P-C4' energy: -61.104
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -50.271
tors. eta vs tors. theta energy: -46.425
Dist. restrs. and SS energy: -59.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -720.334693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.334693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.534693 (E_RNA)
where:
Base-Base interactions energy: -406.287
where: short stacking energy: -181.505
Base-Backbone interact. energy: 1.189
local terms energy: -259.437000
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -35.353
Dist. restrs. and SS energy: -55.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -869.113941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.113941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.513941 (E_RNA)
where:
Base-Base interactions energy: -476.048
where: short stacking energy: -201.956
Base-Backbone interact. energy: -1.192
local terms energy: -253.273933
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -71.887
flat angles C4'-P-C4' energy: -58.800
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -31.521
Dist. restrs. and SS energy: -138.600 (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: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -547.750801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.750801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.350801 (E_RNA)
where:
Base-Base interactions energy: -282.998
where: short stacking energy: -148.453
Base-Backbone interact. energy: -0.126
local terms energy: -214.227153
where:
bonds (distance) C4'-P energy: -64.034
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -67.188
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -623.830902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.830902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.030902 (E_RNA)
where:
Base-Base interactions energy: -373.401
where: short stacking energy: -174.445
Base-Backbone interact. energy: -1.466
local terms energy: -220.164354
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -26.680
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1237.105871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.105871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.305871 (E_RNA)
where:
Base-Base interactions energy: -728.280
where: short stacking energy: -331.817
Base-Backbone interact. energy: -0.400
local terms energy: -353.625713
where:
bonds (distance) C4'-P energy: -62.036
bonds (distance) P-C4' energy: -79.199
flat angles C4'-P-C4' energy: -74.975
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -79.100
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1168.920542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.920542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.720542 (E_RNA)
where:
Base-Base interactions energy: -672.045
where: short stacking energy: -331.577
Base-Backbone interact. energy: -1.598
local terms energy: -344.077591
where:
bonds (distance) C4'-P energy: -63.162
bonds (distance) P-C4' energy: -65.576
flat angles C4'-P-C4' energy: -74.873
flat angles P-C4'-P energy: -55.511
tors. eta vs tors. theta energy: -84.955
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1079.944824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.944824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.944824 (E_RNA)
where:
Base-Base interactions energy: -675.710
where: short stacking energy: -311.609
Base-Backbone interact. energy: -0.833
local terms energy: -322.401744
where:
bonds (distance) C4'-P energy: -56.433
bonds (distance) P-C4' energy: -78.897
flat angles C4'-P-C4' energy: -69.560
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: -69.664
Dist. restrs. and SS energy: -81.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1029.287856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.287856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.487856 (E_RNA)
where:
Base-Base interactions energy: -597.685
where: short stacking energy: -263.503
Base-Backbone interact. energy: -1.393
local terms energy: -329.410362
where:
bonds (distance) C4'-P energy: -67.709
bonds (distance) P-C4' energy: -73.654
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -46.008
tors. eta vs tors. theta energy: -70.421
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1002.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.849660 (E_RNA)
where:
Base-Base interactions energy: -614.051
where: short stacking energy: -257.301
Base-Backbone interact. energy: -0.171
local terms energy: -310.627066
where:
bonds (distance) C4'-P energy: -71.837
bonds (distance) P-C4' energy: -64.714
flat angles C4'-P-C4' energy: -63.752
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: -77.400 (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: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -855.703370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.703370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.903370 (E_RNA)
where:
Base-Base interactions energy: -511.430
where: short stacking energy: -232.897
Base-Backbone interact. energy: -2.237
local terms energy: -295.236684
where:
bonds (distance) C4'-P energy: -77.353
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -62.272
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -54.876
Dist. restrs. and SS energy: -46.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -893.633127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.633127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.833127 (E_RNA)
where:
Base-Base interactions energy: -472.817
where: short stacking energy: -197.651
Base-Backbone interact. energy: -1.123
local terms energy: -282.893063
where:
bonds (distance) C4'-P energy: -64.478
bonds (distance) P-C4' energy: -63.633
flat angles C4'-P-C4' energy: -71.320
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -716.926891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.926891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.926891 (E_RNA)
where:
Base-Base interactions energy: -399.242
where: short stacking energy: -177.954
Base-Backbone interact. energy: -0.122
local terms energy: -254.562948
where:
bonds (distance) C4'-P energy: -58.537
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -70.145
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: -63.000 (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: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -633.553575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.553575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.753575 (E_RNA)
where:
Base-Base interactions energy: -363.014
where: short stacking energy: -168.847
Base-Backbone interact. energy: 0.454
local terms energy: -242.193871
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -70.302
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -26.436
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -563.372687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.372687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.972687 (E_RNA)
where:
Base-Base interactions energy: -288.924
where: short stacking energy: -131.991
Base-Backbone interact. energy: -2.080
local terms energy: -203.969246
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: -68.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1235.815807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.815807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.215807 (E_RNA)
where:
Base-Base interactions energy: -728.250
where: short stacking energy: -323.295
Base-Backbone interact. energy: -0.172
local terms energy: -350.793238
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -78.691
flat angles C4'-P-C4' energy: -80.142
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -72.487
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1153.194637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.194637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.594637 (E_RNA)
where:
Base-Base interactions energy: -657.191
where: short stacking energy: -311.225
Base-Backbone interact. energy: -1.067
local terms energy: -347.337142
where:
bonds (distance) C4'-P energy: -70.774
bonds (distance) P-C4' energy: -75.355
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -78.512
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1098.811890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.811890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.411890 (E_RNA)
where:
Base-Base interactions energy: -678.460
where: short stacking energy: -298.575
Base-Backbone interact. energy: -0.972
local terms energy: -332.980652
where:
bonds (distance) C4'-P energy: -75.600
bonds (distance) P-C4' energy: -68.613
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -66.543
Dist. restrs. and SS energy: -86.400 (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: 19
Temperature: 1.050000
Total energy: -1073.783607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.783607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.783607 (E_RNA)
where:
Base-Base interactions energy: -631.183
where: short stacking energy: -275.800
Base-Backbone interact. energy: -1.549
local terms energy: -342.052028
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -81.748
flat angles C4'-P-C4' energy: -69.437
flat angles P-C4'-P energy: -50.096
tors. eta vs tors. theta energy: -78.782
Dist. restrs. and SS energy: -99.000 (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: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1049.978785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.978785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.378785 (E_RNA)
where:
Base-Base interactions energy: -656.729
where: short stacking energy: -267.862
Base-Backbone interact. energy: 1.640
local terms energy: -319.289093
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -68.535
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -70.492
Dist. restrs. and SS energy: -75.600 (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: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -932.887869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.887869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.687869 (E_RNA)
where:
Base-Base interactions energy: -498.907
where: short stacking energy: -224.525
Base-Backbone interact. energy: -1.684
local terms energy: -299.096883
where:
bonds (distance) C4'-P energy: -72.188
bonds (distance) P-C4' energy: -69.080
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -45.958
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -764.673595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.673595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.473595 (E_RNA)
where:
Base-Base interactions energy: -465.898
where: short stacking energy: -199.694
Base-Backbone interact. energy: 2.776
local terms energy: -258.351709
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -32.188
Dist. restrs. and SS energy: -43.200 (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: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -688.980505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.980505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.180505 (E_RNA)
where:
Base-Base interactions energy: -382.739
where: short stacking energy: -221.155
Base-Backbone interact. energy: -0.848
local terms energy: -276.593316
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -66.789
flat angles C4'-P-C4' energy: -63.706
flat angles P-C4'-P energy: -54.859
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -695.157547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.157547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.557547 (E_RNA)
where:
Base-Base interactions energy: -405.577
where: short stacking energy: -180.110
Base-Backbone interact. energy: -1.673
local terms energy: -230.307656
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -73.830
flat angles C4'-P-C4' energy: -51.293
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -26.184
Dist. restrs. and SS energy: -57.600 (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: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -579.273671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.273671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.073671 (E_RNA)
where:
Base-Base interactions energy: -282.225
where: short stacking energy: -121.688
Base-Backbone interact. energy: 6.029
local terms energy: -232.877728
where:
bonds (distance) C4'-P energy: -52.585
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -62.107
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: -70.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1234.916860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.916860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.116860 (E_RNA)
where:
Base-Base interactions energy: -716.023
where: short stacking energy: -331.702
Base-Backbone interact. energy: -0.727
local terms energy: -363.366818
where:
bonds (distance) C4'-P energy: -78.199
bonds (distance) P-C4' energy: -72.539
flat angles C4'-P-C4' energy: -77.515
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -78.450
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1226.924565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.924565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.524565 (E_RNA)
where:
Base-Base interactions energy: -726.810
where: short stacking energy: -333.694
Base-Backbone interact. energy: 2.325
local terms energy: -353.039942
where:
bonds (distance) C4'-P energy: -72.669
bonds (distance) P-C4' energy: -67.084
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -82.082
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1141.856887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.856887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.856887 (E_RNA)
where:
Base-Base interactions energy: -683.351
where: short stacking energy: -299.221
Base-Backbone interact. energy: -0.132
local terms energy: -350.373991
where:
bonds (distance) C4'-P energy: -73.051
bonds (distance) P-C4' energy: -69.226
flat angles C4'-P-C4' energy: -73.065
flat angles P-C4'-P energy: -55.559
tors. eta vs tors. theta energy: -79.472
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1056.000354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.000354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.400354 (E_RNA)
where:
Base-Base interactions energy: -657.619
where: short stacking energy: -296.876
Base-Backbone interact. energy: 3.591
local terms energy: -317.372248
where:
bonds (distance) C4'-P energy: -66.169
bonds (distance) P-C4' energy: -74.354
flat angles C4'-P-C4' energy: -67.732
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -61.848
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1002.508106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.508106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.308106 (E_RNA)
where:
Base-Base interactions energy: -543.872
where: short stacking energy: -253.086
Base-Backbone interact. energy: -0.208
local terms energy: -316.227785
where:
bonds (distance) C4'-P energy: -70.136
bonds (distance) P-C4' energy: -64.625
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -58.772
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -980.572474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.572474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.972474 (E_RNA)
where:
Base-Base interactions energy: -602.842
where: short stacking energy: -242.518
Base-Backbone interact. energy: -1.127
local terms energy: -292.003064
where:
bonds (distance) C4'-P energy: -64.188
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -757.634859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.634859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.234859 (E_RNA)
where:
Base-Base interactions energy: -419.906
where: short stacking energy: -197.402
Base-Backbone interact. energy: -2.734
local terms energy: -284.594722
where:
bonds (distance) C4'-P energy: -63.255
bonds (distance) P-C4' energy: -77.101
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -47.675
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: -50.400 (S_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: 20
Temperature: 1.250000
Total energy: -637.727320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.727320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.127320 (E_RNA)
where:
Base-Base interactions energy: -372.471
where: short stacking energy: -146.239
Base-Backbone interact. energy: -0.946
local terms energy: -233.710830
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -66.743
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: -30.600 (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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -784.542545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.542545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.742545 (E_RNA)
where:
Base-Base interactions energy: -428.023
where: short stacking energy: -200.948
Base-Backbone interact. energy: -0.846
local terms energy: -254.873197
where:
bonds (distance) C4'-P energy: -60.392
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -580.839596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.839596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.439596 (E_RNA)
where:
Base-Base interactions energy: -297.130
where: short stacking energy: -135.729
Base-Backbone interact. energy: -0.033
local terms energy: -215.276957
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -79.755
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: -68.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1215.970125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.970125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.370125 (E_RNA)
where:
Base-Base interactions energy: -712.157
where: short stacking energy: -306.400
Base-Backbone interact. energy: -2.976
local terms energy: -344.237864
where:
bonds (distance) C4'-P energy: -68.189
bonds (distance) P-C4' energy: -75.310
flat angles C4'-P-C4' energy: -68.110
flat angles P-C4'-P energy: -54.807
tors. eta vs tors. theta energy: -77.822
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1251.455221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.455221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.055221 (E_RNA)
where:
Base-Base interactions energy: -728.660
where: short stacking energy: -346.073
Base-Backbone interact. energy: -1.313
local terms energy: -372.081663
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -76.246
flat angles C4'-P-C4' energy: -78.078
flat angles P-C4'-P energy: -58.430
tors. eta vs tors. theta energy: -91.682
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1104.932695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.932695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.132695 (E_RNA)
where:
Base-Base interactions energy: -669.765
where: short stacking energy: -287.520
Base-Backbone interact. energy: -2.605
local terms energy: -322.762643
where:
bonds (distance) C4'-P energy: -75.008
bonds (distance) P-C4' energy: -67.922
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: -75.643
Dist. restrs. and SS energy: -109.800 (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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1039.351106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.351106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.951106 (E_RNA)
where:
Base-Base interactions energy: -631.677
where: short stacking energy: -281.547
Base-Backbone interact. energy: -0.857
local terms energy: -329.417034
where:
bonds (distance) C4'-P energy: -64.498
bonds (distance) P-C4' energy: -64.557
flat angles C4'-P-C4' energy: -78.597
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -68.182
Dist. restrs. and SS energy: -77.400 (S_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: 21
Temperature: 1.100000
Total energy: -976.689757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.689757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.489757 (E_RNA)
where:
Base-Base interactions energy: -527.348
where: short stacking energy: -228.881
Base-Backbone interact. energy: -1.831
local terms energy: -305.310997
where:
bonds (distance) C4'-P energy: -73.648
bonds (distance) P-C4' energy: -61.604
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: -142.200 (S_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: 21
Temperature: 1.150000
Total energy: -982.099090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.099090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.499090 (E_RNA)
where:
Base-Base interactions energy: -606.099
where: short stacking energy: -257.299
Base-Backbone interact. energy: 0.466
local terms energy: -291.866403
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -61.462
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -64.296
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -764.800882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.800882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.200882 (E_RNA)
where:
Base-Base interactions energy: -425.469
where: short stacking energy: -194.798
Base-Backbone interact. energy: 0.775
local terms energy: -282.506992
where:
bonds (distance) C4'-P energy: -61.011
bonds (distance) P-C4' energy: -62.674
flat angles C4'-P-C4' energy: -61.967
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -49.076
Dist. restrs. and SS energy: -57.600 (S_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: 21
Temperature: 1.250000
Total energy: -809.606112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.606112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.806112 (E_RNA)
where:
Base-Base interactions energy: -439.422
where: short stacking energy: -187.734
Base-Backbone interact. energy: -1.562
local terms energy: -258.822671
where:
bonds (distance) C4'-P energy: -63.677
bonds (distance) P-C4' energy: -65.575
flat angles C4'-P-C4' energy: -67.359
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -31.260
Dist. restrs. and SS energy: -109.800 (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: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -626.980284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.980284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.180284 (E_RNA)
where:
Base-Base interactions energy: -361.557
where: short stacking energy: -181.909
Base-Backbone interact. energy: -2.167
local terms energy: -234.456609
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -47.407
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -39.227
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -619.919041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.919041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.319041 (E_RNA)
where:
Base-Base interactions energy: -311.955
where: short stacking energy: -147.387
Base-Backbone interact. energy: 4.333
local terms energy: -227.697224
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -74.534
flat angles C4'-P-C4' energy: -54.572
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1230.026401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.026401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.626401 (E_RNA)
where:
Base-Base interactions energy: -734.466
where: short stacking energy: -315.105
Base-Backbone interact. energy: -0.648
local terms energy: -336.512484
where:
bonds (distance) C4'-P energy: -62.222
bonds (distance) P-C4' energy: -64.522
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -88.574
Dist. restrs. and SS energy: -158.400 (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: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1226.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.340170 (E_RNA)
where:
Base-Base interactions energy: -735.938
where: short stacking energy: -331.901
Base-Backbone interact. energy: -0.998
local terms energy: -340.404635
where:
bonds (distance) C4'-P energy: -69.383
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -47.317
tors. eta vs tors. theta energy: -84.185
Dist. restrs. and SS energy: -149.400 (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: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1095.929872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.929872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.329872 (E_RNA)
where:
Base-Base interactions energy: -673.737
where: short stacking energy: -290.777
Base-Backbone interact. energy: -0.103
local terms energy: -346.489020
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -67.215
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -57.922
tors. eta vs tors. theta energy: -72.530
Dist. restrs. and SS energy: -75.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1081.159546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.159546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.359546 (E_RNA)
where:
Base-Base interactions energy: -643.346
where: short stacking energy: -273.269
Base-Backbone interact. energy: -0.042
local terms energy: -327.972127
where:
bonds (distance) C4'-P energy: -67.385
bonds (distance) P-C4' energy: -67.052
flat angles C4'-P-C4' energy: -71.962
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -69.773
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1024.561736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.561736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.961736 (E_RNA)
where:
Base-Base interactions energy: -632.158
where: short stacking energy: -250.634
Base-Backbone interact. energy: -1.933
local terms energy: -305.871253
where:
bonds (distance) C4'-P energy: -68.305
bonds (distance) P-C4' energy: -61.425
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -64.975
Dist. restrs. and SS energy: -84.600 (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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -973.671080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.671080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.871080 (E_RNA)
where:
Base-Base interactions energy: -522.291
where: short stacking energy: -242.364
Base-Backbone interact. energy: 1.196
local terms energy: -306.776534
where:
bonds (distance) C4'-P energy: -69.561
bonds (distance) P-C4' energy: -67.292
flat angles C4'-P-C4' energy: -68.065
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -58.754
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -850.853707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.853707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.453707 (E_RNA)
where:
Base-Base interactions energy: -469.415
where: short stacking energy: -208.915
Base-Backbone interact. energy: 2.551
local terms energy: -270.589727
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -55.677
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -45.752
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -702.614988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.614988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.414988 (E_RNA)
where:
Base-Base interactions energy: -418.501
where: short stacking energy: -191.272
Base-Backbone interact. energy: 1.833
local terms energy: -233.747180
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -43.970
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -39.265
Dist. restrs. and SS energy: -52.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -676.959261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.959261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.359261 (E_RNA)
where:
Base-Base interactions energy: -350.038
where: short stacking energy: -190.793
Base-Backbone interact. energy: 5.678
local terms energy: -247.999328
where:
bonds (distance) C4'-P energy: -62.367
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -58.115
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: -84.600 (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: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -629.820764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.820764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.620764 (E_RNA)
where:
Base-Base interactions energy: -366.743
where: short stacking energy: -156.857
Base-Backbone interact. energy: 5.936
local terms energy: -216.813813
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: -52.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1245.273588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.273588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.873588 (E_RNA)
where:
Base-Base interactions energy: -748.007
where: short stacking energy: -296.388
Base-Backbone interact. energy: -1.448
local terms energy: -337.419069
where:
bonds (distance) C4'-P energy: -63.769
bonds (distance) P-C4' energy: -78.846
flat angles C4'-P-C4' energy: -70.095
flat angles P-C4'-P energy: -52.977
tors. eta vs tors. theta energy: -71.732
Dist. restrs. and SS energy: -158.400 (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: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1277.646606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.646606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.246606 (E_RNA)
where:
Base-Base interactions energy: -765.552
where: short stacking energy: -344.110
Base-Backbone interact. energy: 0.215
local terms energy: -362.908829
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -67.776
flat angles C4'-P-C4' energy: -87.200
flat angles P-C4'-P energy: -42.354
tors. eta vs tors. theta energy: -89.434
Dist. restrs. and SS energy: -149.400 (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: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1099.398689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.398689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.598689 (E_RNA)
where:
Base-Base interactions energy: -657.522
where: short stacking energy: -285.728
Base-Backbone interact. energy: -1.944
local terms energy: -357.132448
where:
bonds (distance) C4'-P energy: -78.905
bonds (distance) P-C4' energy: -71.172
flat angles C4'-P-C4' energy: -77.239
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: -70.971
Dist. restrs. and SS energy: -82.800 (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: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1110.224703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.224703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.224703 (E_RNA)
where:
Base-Base interactions energy: -664.571
where: short stacking energy: -309.626
Base-Backbone interact. energy: -2.605
local terms energy: -335.048589
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -68.292
flat angles C4'-P-C4' energy: -72.339
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -84.925
Dist. restrs. and SS energy: -108.000 (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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1055.533332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.533332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.933332 (E_RNA)
where:
Base-Base interactions energy: -688.807
where: short stacking energy: -277.173
Base-Backbone interact. energy: -1.703
local terms energy: -280.423393
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -68.658
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: -68.072
Dist. restrs. and SS energy: -84.600 (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: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -988.245153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.245153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.445153 (E_RNA)
where:
Base-Base interactions energy: -538.870
where: short stacking energy: -218.881
Base-Backbone interact. energy: 1.385
local terms energy: -295.960079
where:
bonds (distance) C4'-P energy: -54.068
bonds (distance) P-C4' energy: -70.231
flat angles C4'-P-C4' energy: -75.058
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -860.209988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.209988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.609988 (E_RNA)
where:
Base-Base interactions energy: -506.649
where: short stacking energy: -216.264
Base-Backbone interact. energy: 1.291
local terms energy: -234.252227
where:
bonds (distance) C4'-P energy: -52.439
bonds (distance) P-C4' energy: -55.310
flat angles C4'-P-C4' energy: -53.524
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -685.926488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.926488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.526488 (E_RNA)
where:
Base-Base interactions energy: -371.596
where: short stacking energy: -171.751
Base-Backbone interact. energy: 1.696
local terms energy: -256.626074
where:
bonds (distance) C4'-P energy: -54.498
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -59.842
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -31.578
Dist. restrs. and SS energy: -59.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -686.632394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.632394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.232394 (E_RNA)
where:
Base-Base interactions energy: -372.144
where: short stacking energy: -161.399
Base-Backbone interact. energy: 2.228
local terms energy: -230.315942
where:
bonds (distance) C4'-P energy: -57.790
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -642.494957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.494957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.494957 (E_RNA)
where:
Base-Base interactions energy: -357.295
where: short stacking energy: -159.168
Base-Backbone interact. energy: -2.359
local terms energy: -237.841276
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -56.605
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1302.805050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.805050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.605050 (E_RNA)
where:
Base-Base interactions energy: -797.266
where: short stacking energy: -345.425
Base-Backbone interact. energy: -0.725
local terms energy: -353.614207
where:
bonds (distance) C4'-P energy: -76.273
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -97.424
Dist. restrs. and SS energy: -151.200 (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: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1224.339613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.339613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.739613 (E_RNA)
where:
Base-Base interactions energy: -723.054
where: short stacking energy: -305.836
Base-Backbone interact. energy: -0.438
local terms energy: -344.248010
where:
bonds (distance) C4'-P energy: -74.415
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -76.334
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -75.039
Dist. restrs. and SS energy: -156.600 (S_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: 24
Temperature: 1.000000
Total energy: -1174.074998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.074998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.274998 (E_RNA)
where:
Base-Base interactions energy: -697.039
where: short stacking energy: -315.373
Base-Backbone interact. energy: -1.273
local terms energy: -365.962636
where:
bonds (distance) C4'-P energy: -71.290
bonds (distance) P-C4' energy: -82.891
flat angles C4'-P-C4' energy: -77.127
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -86.641
Dist. restrs. and SS energy: -109.800 (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: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1060.451026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.451026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.251026 (E_RNA)
where:
Base-Base interactions energy: -636.516
where: short stacking energy: -264.216
Base-Backbone interact. energy: -1.763
local terms energy: -342.972390
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -77.375
flat angles C4'-P-C4' energy: -82.909
flat angles P-C4'-P energy: -43.486
tors. eta vs tors. theta energy: -72.058
Dist. restrs. and SS energy: -79.200 (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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1062.939542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.939542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.539542 (E_RNA)
where:
Base-Base interactions energy: -671.516
where: short stacking energy: -297.315
Base-Backbone interact. energy: -3.345
local terms energy: -301.678218
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -72.769
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: -71.116
Dist. restrs. and SS energy: -86.400 (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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1037.024802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.024802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.024802 (E_RNA)
where:
Base-Base interactions energy: -589.214
where: short stacking energy: -242.849
Base-Backbone interact. energy: -0.757
local terms energy: -294.053708
where:
bonds (distance) C4'-P energy: -64.698
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -53.454
Dist. restrs. and SS energy: -153.000 (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: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -902.567696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.567696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.367696 (E_RNA)
where:
Base-Base interactions energy: -511.966
where: short stacking energy: -227.094
Base-Backbone interact. energy: 1.342
local terms energy: -276.743904
where:
bonds (distance) C4'-P energy: -63.109
bonds (distance) P-C4' energy: -71.100
flat angles C4'-P-C4' energy: -65.367
flat angles P-C4'-P energy: -32.221
tors. eta vs tors. theta energy: -44.947
Dist. restrs. and SS energy: -115.200 (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: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -752.071661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.071661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.871661 (E_RNA)
where:
Base-Base interactions energy: -426.774
where: short stacking energy: -193.606
Base-Backbone interact. energy: -2.923
local terms energy: -252.174285
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -60.095
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -31.227
Dist. restrs. and SS energy: -70.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -648.923617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.923617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.923617 (E_RNA)
where:
Base-Base interactions energy: -353.263
where: short stacking energy: -152.559
Base-Backbone interact. energy: -0.502
local terms energy: -250.159169
where:
bonds (distance) C4'-P energy: -65.694
bonds (distance) P-C4' energy: -61.707
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -653.283837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.283837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.283837 (E_RNA)
where:
Base-Base interactions energy: -340.237
where: short stacking energy: -165.952
Base-Backbone interact. energy: 2.349
local terms energy: -216.396039
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1295.034565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.034565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.634565 (E_RNA)
where:
Base-Base interactions energy: -789.281
where: short stacking energy: -350.737
Base-Backbone interact. energy: -2.542
local terms energy: -353.810762
where:
bonds (distance) C4'-P energy: -70.393
bonds (distance) P-C4' energy: -68.446
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -92.271
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1205.865193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.865193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.065193 (E_RNA)
where:
Base-Base interactions energy: -729.938
where: short stacking energy: -322.916
Base-Backbone interact. energy: -3.418
local terms energy: -362.709487
where:
bonds (distance) C4'-P energy: -76.300
bonds (distance) P-C4' energy: -74.212
flat angles C4'-P-C4' energy: -80.754
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -84.792
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. 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: -1173.005998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.005998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.605998 (E_RNA)
where:
Base-Base interactions energy: -677.457
where: short stacking energy: -311.337
Base-Backbone interact. energy: -0.112
local terms energy: -346.037051
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -79.340
flat angles C4'-P-C4' energy: -75.299
flat angles P-C4'-P energy: -40.571
tors. eta vs tors. theta energy: -81.522
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1067.927604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.927604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.127604 (E_RNA)
where:
Base-Base interactions energy: -665.965
where: short stacking energy: -277.205
Base-Backbone interact. energy: -1.186
local terms energy: -317.976428
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -69.789
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -69.940
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1056.700380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.700380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.100380 (E_RNA)
where:
Base-Base interactions energy: -654.031
where: short stacking energy: -274.324
Base-Backbone interact. energy: -0.836
local terms energy: -326.233503
where:
bonds (distance) C4'-P energy: -70.877
bonds (distance) P-C4' energy: -61.699
flat angles C4'-P-C4' energy: -67.976
flat angles P-C4'-P energy: -54.452
tors. eta vs tors. theta energy: -71.230
Dist. restrs. and SS energy: -75.600 (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: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1047.425787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.425787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.425787 (E_RNA)
where:
Base-Base interactions energy: -583.689
where: short stacking energy: -234.105
Base-Backbone interact. energy: -1.328
local terms energy: -300.408796
where:
bonds (distance) C4'-P energy: -68.610
bonds (distance) P-C4' energy: -67.370
flat angles C4'-P-C4' energy: -69.260
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -57.341
Dist. restrs. and SS energy: -162.000 (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: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -909.507638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.507638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.907638 (E_RNA)
where:
Base-Base interactions energy: -529.236
where: short stacking energy: -240.172
Base-Backbone interact. energy: 1.727
local terms energy: -252.398393
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -63.851
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -754.184043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.184043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.984043 (E_RNA)
where:
Base-Base interactions energy: -412.382
where: short stacking energy: -192.325
Base-Backbone interact. energy: -4.282
local terms energy: -258.319551
where:
bonds (distance) C4'-P energy: -63.694
bonds (distance) P-C4' energy: -52.396
flat angles C4'-P-C4' energy: -68.455
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -33.514
Dist. restrs. and SS energy: -79.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -614.717792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.717792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.717792 (E_RNA)
where:
Base-Base interactions energy: -360.083
where: short stacking energy: -155.911
Base-Backbone interact. energy: -2.687
local terms energy: -224.947134
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -63.492
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: -27.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -681.813549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.813549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.613549 (E_RNA)
where:
Base-Base interactions energy: -367.056
where: short stacking energy: -166.086
Base-Backbone interact. energy: -1.162
local terms energy: -207.395188
where:
bonds (distance) C4'-P energy: -46.381
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -57.007
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -28.856
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1282.292839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.292839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.092839 (E_RNA)
where:
Base-Base interactions energy: -767.994
where: short stacking energy: -323.015
Base-Backbone interact. energy: -2.720
local terms energy: -360.378229
where:
bonds (distance) C4'-P energy: -72.651
bonds (distance) P-C4' energy: -78.829
flat angles C4'-P-C4' energy: -78.567
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -90.597
Dist. restrs. and SS energy: -151.200 (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: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1164.702315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.702315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.302315 (E_RNA)
where:
Base-Base interactions energy: -700.070
where: short stacking energy: -311.905
Base-Backbone interact. energy: -2.002
local terms energy: -358.230295
where:
bonds (distance) C4'-P energy: -69.436
bonds (distance) P-C4' energy: -73.465
flat angles C4'-P-C4' energy: -77.743
flat angles P-C4'-P energy: -54.708
tors. eta vs tors. theta energy: -82.878
Dist. restrs. and SS energy: -104.400 (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: 26
Temperature: 1.000000
Total energy: -1171.787454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.787454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.187454 (E_RNA)
where:
Base-Base interactions energy: -686.545
where: short stacking energy: -297.410
Base-Backbone interact. energy: -1.078
local terms energy: -336.564954
where:
bonds (distance) C4'-P energy: -79.005
bonds (distance) P-C4' energy: -70.692
flat angles C4'-P-C4' energy: -64.434
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -78.685
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1086.432971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.432971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.632971 (E_RNA)
where:
Base-Base interactions energy: -668.199
where: short stacking energy: -279.170
Base-Backbone interact. energy: -0.592
local terms energy: -334.842268
where:
bonds (distance) C4'-P energy: -69.920
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -77.041
flat angles P-C4'-P energy: -40.813
tors. eta vs tors. theta energy: -74.453
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1030.978136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.978136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.578136 (E_RNA)
where:
Base-Base interactions energy: -628.874
where: short stacking energy: -253.234
Base-Backbone interact. energy: -2.559
local terms energy: -313.145491
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -73.830
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: -86.400 (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: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1044.895225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.895225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.495225 (E_RNA)
where:
Base-Base interactions energy: -590.662
where: short stacking energy: -230.612
Base-Backbone interact. energy: 1.262
local terms energy: -297.094896
where:
bonds (distance) C4'-P energy: -66.922
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -71.122
flat angles P-C4'-P energy: -41.090
tors. eta vs tors. theta energy: -55.386
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -940.066305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.066305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.466305 (E_RNA)
where:
Base-Base interactions energy: -537.531
where: short stacking energy: -234.840
Base-Backbone interact. energy: 0.234
local terms energy: -273.169052
where:
bonds (distance) C4'-P energy: -63.789
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -71.210
flat angles P-C4'-P energy: -31.054
tors. eta vs tors. theta energy: -48.211
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -764.397151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.397151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.397151 (E_RNA)
where:
Base-Base interactions energy: -443.182
where: short stacking energy: -191.664
Base-Backbone interact. energy: 0.191
local terms energy: -249.406697
where:
bonds (distance) C4'-P energy: -60.278
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -45.691
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: -72.000 (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: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -632.344210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.344210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.944210 (E_RNA)
where:
Base-Base interactions energy: -366.091
where: short stacking energy: -176.799
Base-Backbone interact. energy: -0.551
local terms energy: -242.301821
where:
bonds (distance) C4'-P energy: -51.904
bonds (distance) P-C4' energy: -66.332
flat angles C4'-P-C4' energy: -60.663
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -29.753
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -677.327597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.327597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.527597 (E_RNA)
where:
Base-Base interactions energy: -359.015
where: short stacking energy: -167.688
Base-Backbone interact. energy: 0.836
local terms energy: -218.348239
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1323.019729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.019729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.619729 (E_RNA)
where:
Base-Base interactions energy: -791.857
where: short stacking energy: -351.466
Base-Backbone interact. energy: -0.666
local terms energy: -381.096880
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -82.472
flat angles C4'-P-C4' energy: -83.903
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -89.400
Dist. restrs. and SS energy: -149.400 (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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1238.764327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.764327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.764327 (E_RNA)
where:
Base-Base interactions energy: -746.176
where: short stacking energy: -312.192
Base-Backbone interact. energy: 3.435
local terms energy: -334.022903
where:
bonds (distance) C4'-P energy: -60.079
bonds (distance) P-C4' energy: -74.853
flat angles C4'-P-C4' energy: -69.703
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -79.896
Dist. restrs. and SS energy: -162.000 (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: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1189.639698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.639698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.639698 (E_RNA)
where:
Base-Base interactions energy: -727.385
where: short stacking energy: -315.099
Base-Backbone interact. energy: -1.697
local terms energy: -352.557258
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -77.613
flat angles C4'-P-C4' energy: -80.991
flat angles P-C4'-P energy: -52.796
tors. eta vs tors. theta energy: -81.036
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1082.288094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.288094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.488094 (E_RNA)
where:
Base-Base interactions energy: -668.909
where: short stacking energy: -278.956
Base-Backbone interact. energy: -1.146
local terms energy: -329.432853
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -74.343
flat angles C4'-P-C4' energy: -69.982
flat angles P-C4'-P energy: -51.309
tors. eta vs tors. theta energy: -79.458
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1067.128405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.128405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.928405 (E_RNA)
where:
Base-Base interactions energy: -656.661
where: short stacking energy: -281.075
Base-Backbone interact. energy: -1.443
local terms energy: -329.823997
where:
bonds (distance) C4'-P energy: -66.510
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -71.679
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -77.263
Dist. restrs. and SS energy: -79.200 (S_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: 27
Temperature: 1.150000
Total energy: -1037.920657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.920657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.320657 (E_RNA)
where:
Base-Base interactions energy: -546.222
where: short stacking energy: -231.307
Base-Backbone interact. energy: -0.447
local terms energy: -325.651637
where:
bonds (distance) C4'-P energy: -71.714
bonds (distance) P-C4' energy: -71.469
flat angles C4'-P-C4' energy: -72.155
flat angles P-C4'-P energy: -46.905
tors. eta vs tors. theta energy: -63.408
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -951.343325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.343325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.543325 (E_RNA)
where:
Base-Base interactions energy: -527.405
where: short stacking energy: -219.491
Base-Backbone interact. energy: -2.406
local terms energy: -293.732306
where:
bonds (distance) C4'-P energy: -62.947
bonds (distance) P-C4' energy: -75.417
flat angles C4'-P-C4' energy: -69.250
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -817.004321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.004321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.004321 (E_RNA)
where:
Base-Base interactions energy: -476.706
where: short stacking energy: -237.586
Base-Backbone interact. energy: -1.557
local terms energy: -248.740646
where:
bonds (distance) C4'-P energy: -50.007
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: -90.000 (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: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -592.204997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.204997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.804997 (E_RNA)
where:
Base-Base interactions energy: -333.931
where: short stacking energy: -169.631
Base-Backbone interact. energy: 1.012
local terms energy: -235.886442
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -733.490837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.490837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.090837 (E_RNA)
where:
Base-Base interactions energy: -377.340
where: short stacking energy: -161.684
Base-Backbone interact. energy: -1.060
local terms energy: -250.691172
where:
bonds (distance) C4'-P energy: -63.763
bonds (distance) P-C4' energy: -62.931
flat angles C4'-P-C4' energy: -58.851
flat angles P-C4'-P energy: -41.624
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1312.038650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.038650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.038650 (E_RNA)
where:
Base-Base interactions energy: -778.864
where: short stacking energy: -349.696
Base-Backbone interact. energy: -0.588
local terms energy: -388.587033
where:
bonds (distance) C4'-P energy: -82.711
bonds (distance) P-C4' energy: -78.116
flat angles C4'-P-C4' energy: -78.903
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -96.860
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1262.301426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.301426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.901426 (E_RNA)
where:
Base-Base interactions energy: -767.017
where: short stacking energy: -320.555
Base-Backbone interact. energy: -0.695
local terms energy: -336.189603
where:
bonds (distance) C4'-P energy: -75.835
bonds (distance) P-C4' energy: -64.318
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -80.895
Dist. restrs. and SS energy: -158.400 (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: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1207.243426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.243426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.243426 (E_RNA)
where:
Base-Base interactions energy: -761.559
where: short stacking energy: -320.520
Base-Backbone interact. energy: -1.286
local terms energy: -336.398223
where:
bonds (distance) C4'-P energy: -58.539
bonds (distance) P-C4' energy: -72.034
flat angles C4'-P-C4' energy: -73.385
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1103.431975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.431975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.031975 (E_RNA)
where:
Base-Base interactions energy: -671.092
where: short stacking energy: -293.296
Base-Backbone interact. energy: -1.483
local terms energy: -344.456191
where:
bonds (distance) C4'-P energy: -63.594
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -82.426
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -76.689
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1085.299517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.299517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.699517 (E_RNA)
where:
Base-Base interactions energy: -697.012
where: short stacking energy: -275.335
Base-Backbone interact. energy: -0.157
local terms energy: -312.530366
where:
bonds (distance) C4'-P energy: -57.042
bonds (distance) P-C4' energy: -64.537
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -75.452
Dist. restrs. and SS energy: -75.600 (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: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1031.290528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.290528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.690528 (E_RNA)
where:
Base-Base interactions energy: -589.274
where: short stacking energy: -238.939
Base-Backbone interact. energy: 1.321
local terms energy: -286.737524
where:
bonds (distance) C4'-P energy: -62.030
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -68.258
flat angles P-C4'-P energy: -41.073
tors. eta vs tors. theta energy: -50.145
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -943.264649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.264649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.864649 (E_RNA)
where:
Base-Base interactions energy: -529.632
where: short stacking energy: -231.766
Base-Backbone interact. energy: -1.829
local terms energy: -289.403861
where:
bonds (distance) C4'-P energy: -56.720
bonds (distance) P-C4' energy: -70.681
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -50.510
tors. eta vs tors. theta energy: -53.685
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -868.584523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.584523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.584523 (E_RNA)
where:
Base-Base interactions energy: -518.642
where: short stacking energy: -216.778
Base-Backbone interact. energy: 2.175
local terms energy: -262.117199
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -61.636
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -42.704
tors. eta vs tors. theta energy: -49.722
Dist. restrs. and SS energy: -90.000 (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: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -730.383503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.383503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.183503 (E_RNA)
where:
Base-Base interactions energy: -434.574
where: short stacking energy: -196.037
Base-Backbone interact. energy: 3.988
local terms energy: -193.597220
where:
bonds (distance) C4'-P energy: -54.123
bonds (distance) P-C4' energy: -38.417
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: -106.200 (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: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -582.393583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.393583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.393583 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -181.837
Base-Backbone interact. energy: 3.449
local terms energy: -210.472708
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -59.843
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -30.118
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: -18.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1294.479579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.479579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.279579 (E_RNA)
where:
Base-Base interactions energy: -778.576
where: short stacking energy: -345.058
Base-Backbone interact. energy: -0.535
local terms energy: -364.168750
where:
bonds (distance) C4'-P energy: -76.948
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -79.479
flat angles P-C4'-P energy: -56.372
tors. eta vs tors. theta energy: -87.754
Dist. restrs. and SS energy: -151.200 (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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1247.936392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.936392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.136392 (E_RNA)
where:
Base-Base interactions energy: -779.712
where: short stacking energy: -322.643
Base-Backbone interact. energy: -2.920
local terms energy: -355.504439
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -67.191
flat angles C4'-P-C4' energy: -81.384
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: -87.248
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1206.204690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.204690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.804690 (E_RNA)
where:
Base-Base interactions energy: -705.972
where: short stacking energy: -298.321
Base-Backbone interact. energy: -0.956
local terms energy: -340.877019
where:
bonds (distance) C4'-P energy: -59.082
bonds (distance) P-C4' energy: -75.155
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -55.630
tors. eta vs tors. theta energy: -77.897
Dist. restrs. and SS energy: -158.400 (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: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1127.852300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.852300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.652300 (E_RNA)
where:
Base-Base interactions energy: -725.401
where: short stacking energy: -288.479
Base-Backbone interact. energy: -1.833
local terms energy: -321.418506
where:
bonds (distance) C4'-P energy: -58.524
bonds (distance) P-C4' energy: -76.181
flat angles C4'-P-C4' energy: -69.390
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -71.048
Dist. restrs. and SS energy: -79.200 (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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1067.361131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.361131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.961131 (E_RNA)
where:
Base-Base interactions energy: -658.929
where: short stacking energy: -272.054
Base-Backbone interact. energy: -0.491
local terms energy: -321.540701
where:
bonds (distance) C4'-P energy: -69.358
bonds (distance) P-C4' energy: -77.915
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -63.082
Dist. restrs. and SS energy: -86.400 (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: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -988.921617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.921617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.721617 (E_RNA)
where:
Base-Base interactions energy: -538.525
where: short stacking energy: -226.260
Base-Backbone interact. energy: -0.659
local terms energy: -289.537891
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -71.558
flat angles P-C4'-P energy: -47.375
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -907.667051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.667051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.267051 (E_RNA)
where:
Base-Base interactions energy: -522.689
where: short stacking energy: -225.496
Base-Backbone interact. energy: -1.985
local terms energy: -269.592426
where:
bonds (distance) C4'-P energy: -59.671
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -50.207
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -924.564613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.564613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.364613 (E_RNA)
where:
Base-Base interactions energy: -563.069
where: short stacking energy: -225.704
Base-Backbone interact. energy: 1.223
local terms energy: -274.518451
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -67.242
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -42.341
Dist. restrs. and SS energy: -88.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -746.737507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.737507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.537507 (E_RNA)
where:
Base-Base interactions energy: -414.905
where: short stacking energy: -188.265
Base-Backbone interact. energy: 3.718
local terms energy: -229.351163
where:
bonds (distance) C4'-P energy: -54.899
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: -106.200 (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: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -580.521493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.521493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.721493 (E_RNA)
where:
Base-Base interactions energy: -338.744
where: short stacking energy: -184.743
Base-Backbone interact. energy: -0.299
local terms energy: -212.678193
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -50.587
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1307.244411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.244411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.044411 (E_RNA)
where:
Base-Base interactions energy: -787.814
where: short stacking energy: -347.292
Base-Backbone interact. energy: -1.898
local terms energy: -366.331947
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -79.858
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -89.473
Dist. restrs. and SS energy: -151.200 (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: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1254.350929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.350929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.350929 (E_RNA)
where:
Base-Base interactions energy: -770.788
where: short stacking energy: -323.755
Base-Backbone interact. energy: -3.465
local terms energy: -372.097098
where:
bonds (distance) C4'-P energy: -80.032
bonds (distance) P-C4' energy: -76.620
flat angles C4'-P-C4' energy: -72.332
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -88.561
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1195.926046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.926046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.926046 (E_RNA)
where:
Base-Base interactions energy: -704.476
where: short stacking energy: -277.570
Base-Backbone interact. energy: -4.336
local terms energy: -325.113920
where:
bonds (distance) C4'-P energy: -73.992
bonds (distance) P-C4' energy: -67.559
flat angles C4'-P-C4' energy: -69.830
flat angles P-C4'-P energy: -51.280
tors. eta vs tors. theta energy: -62.452
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1127.600985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.600985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.000985 (E_RNA)
where:
Base-Base interactions energy: -697.935
where: short stacking energy: -291.180
Base-Backbone interact. energy: 1.128
local terms energy: -346.193375
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -70.517
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -81.640
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1081.145690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.145690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.545690 (E_RNA)
where:
Base-Base interactions energy: -681.355
where: short stacking energy: -268.754
Base-Backbone interact. energy: -0.297
local terms energy: -314.893940
where:
bonds (distance) C4'-P energy: -59.626
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -73.957
flat angles P-C4'-P energy: -47.554
tors. eta vs tors. theta energy: -67.347
Dist. restrs. and SS energy: -84.600 (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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1042.832124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.832124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.232124 (E_RNA)
where:
Base-Base interactions energy: -585.824
where: short stacking energy: -257.720
Base-Backbone interact. energy: 0.624
local terms energy: -283.032220
where:
bonds (distance) C4'-P energy: -53.472
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -46.512
tors. eta vs tors. theta energy: -53.312
Dist. restrs. and SS energy: -174.600 (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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -934.718576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.718576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.518576 (E_RNA)
where:
Base-Base interactions energy: -528.374
where: short stacking energy: -223.964
Base-Backbone interact. energy: 2.676
local terms energy: -293.820469
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -71.535
flat angles C4'-P-C4' energy: -72.831
flat angles P-C4'-P energy: -42.033
tors. eta vs tors. theta energy: -50.214
Dist. restrs. and SS energy: -115.200 (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: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -882.567346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.767346 (E_RNA)
where:
Base-Base interactions energy: -524.787
where: short stacking energy: -229.610
Base-Backbone interact. energy: -1.574
local terms energy: -273.406201
where:
bonds (distance) C4'-P energy: -52.567
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -68.587
Dist. restrs. and SS energy: -82.800 (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: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -747.477626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.477626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.477626 (E_RNA)
where:
Base-Base interactions energy: -388.937
where: short stacking energy: -171.846
Base-Backbone interact. energy: 0.216
local terms energy: -250.757007
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -65.995
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -31.388
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: -108.000 (S_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: 30
Temperature: 1.350000
Total energy: -523.487522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.487522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.687522 (E_RNA)
where:
Base-Base interactions energy: -278.403
where: short stacking energy: -149.422
Base-Backbone interact. energy: 1.113
local terms energy: -217.397654
where:
bonds (distance) C4'-P energy: -62.005
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -49.574
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: -28.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1295.549024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.549024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.349024 (E_RNA)
where:
Base-Base interactions energy: -765.497
where: short stacking energy: -332.905
Base-Backbone interact. energy: 1.111
local terms energy: -379.963064
where:
bonds (distance) C4'-P energy: -76.518
bonds (distance) P-C4' energy: -74.316
flat angles C4'-P-C4' energy: -84.145
flat angles P-C4'-P energy: -57.529
tors. eta vs tors. theta energy: -87.455
Dist. restrs. and SS energy: -151.200 (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: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1262.405127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.405127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.605127 (E_RNA)
where:
Base-Base interactions energy: -801.691
where: short stacking energy: -348.398
Base-Backbone interact. energy: -0.937
local terms energy: -349.977440
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -77.406
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -91.823
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1262.530497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.130497 (E_RNA)
where:
Base-Base interactions energy: -786.337
where: short stacking energy: -304.645
Base-Backbone interact. energy: 3.747
local terms energy: -321.540780
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -54.075
tors. eta vs tors. theta energy: -75.115
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1119.531655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.531655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.131655 (E_RNA)
where:
Base-Base interactions energy: -703.084
where: short stacking energy: -294.627
Base-Backbone interact. energy: -0.829
local terms energy: -329.218692
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -80.906
flat angles C4'-P-C4' energy: -72.659
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -71.425
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1073.872956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.872956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.272956 (E_RNA)
where:
Base-Base interactions energy: -661.011
where: short stacking energy: -302.037
Base-Backbone interact. energy: -1.607
local terms energy: -335.654880
where:
bonds (distance) C4'-P energy: -67.999
bonds (distance) P-C4' energy: -78.631
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -77.317
Dist. restrs. and SS energy: -75.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -958.203512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.203512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.803512 (E_RNA)
where:
Base-Base interactions energy: -556.008
where: short stacking energy: -247.537
Base-Backbone interact. energy: -1.131
local terms energy: -287.663883
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -62.024
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -52.139
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1049.493106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.493106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.093106 (E_RNA)
where:
Base-Base interactions energy: -585.039
where: short stacking energy: -255.831
Base-Backbone interact. energy: 2.329
local terms energy: -290.383489
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -65.884
flat angles P-C4'-P energy: -52.076
tors. eta vs tors. theta energy: -56.835
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -851.888495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.888495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.288495 (E_RNA)
where:
Base-Base interactions energy: -510.944
where: short stacking energy: -203.498
Base-Backbone interact. energy: -1.813
local terms energy: -254.531187
where:
bonds (distance) C4'-P energy: -43.759
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -53.600
Dist. restrs. and SS energy: -84.600 (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: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -810.023244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.023244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.823244 (E_RNA)
where:
Base-Base interactions energy: -439.364
where: short stacking energy: -204.784
Base-Backbone interact. energy: 2.275
local terms energy: -266.733885
where:
bonds (distance) C4'-P energy: -61.936
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -62.922
flat angles P-C4'-P energy: -41.388
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: -106.200 (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: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -512.156726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.156726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.756726 (E_RNA)
where:
Base-Base interactions energy: -262.329
where: short stacking energy: -121.959
Base-Backbone interact. energy: -1.968
local terms energy: -224.459061
where:
bonds (distance) C4'-P energy: -70.418
bonds (distance) P-C4' energy: -56.779
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: -23.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1272.251694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.251694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.251694 (E_RNA)
where:
Base-Base interactions energy: -791.588
where: short stacking energy: -349.212
Base-Backbone interact. energy: 1.048
local terms energy: -373.711747
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -83.322
flat angles P-C4'-P energy: -58.341
tors. eta vs tors. theta energy: -88.707
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1288.378110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.378110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.978110 (E_RNA)
where:
Base-Base interactions energy: -775.279
where: short stacking energy: -344.004
Base-Backbone interact. energy: 1.979
local terms energy: -365.678283
where:
bonds (distance) C4'-P energy: -69.070
bonds (distance) P-C4' energy: -80.181
flat angles C4'-P-C4' energy: -78.778
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -90.600
Dist. restrs. and SS energy: -149.400 (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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1157.877846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.877846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.277846 (E_RNA)
where:
Base-Base interactions energy: -732.470
where: short stacking energy: -290.678
Base-Backbone interact. energy: -1.179
local terms energy: -339.628894
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -66.213
flat angles C4'-P-C4' energy: -76.854
flat angles P-C4'-P energy: -43.803
tors. eta vs tors. theta energy: -82.850
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1190.962812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.962812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.362812 (E_RNA)
where:
Base-Base interactions energy: -713.661
where: short stacking energy: -274.793
Base-Backbone interact. energy: -1.650
local terms energy: -310.051471
where:
bonds (distance) C4'-P energy: -65.677
bonds (distance) P-C4' energy: -64.602
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -67.454
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1081.954242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.954242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.754242 (E_RNA)
where:
Base-Base interactions energy: -673.846
where: short stacking energy: -276.993
Base-Backbone interact. energy: 1.143
local terms energy: -330.051855
where:
bonds (distance) C4'-P energy: -67.977
bonds (distance) P-C4' energy: -58.012
flat angles C4'-P-C4' energy: -76.115
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: -79.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -958.958051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.958051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.758051 (E_RNA)
where:
Base-Base interactions energy: -552.918
where: short stacking energy: -228.595
Base-Backbone interact. energy: -0.085
local terms energy: -290.755221
where:
bonds (distance) C4'-P energy: -59.985
bonds (distance) P-C4' energy: -74.183
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1036.135365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.135365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.735365 (E_RNA)
where:
Base-Base interactions energy: -580.497
where: short stacking energy: -235.913
Base-Backbone interact. energy: -4.080
local terms energy: -275.158401
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -68.542
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -54.170
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. 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: -845.005326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.005326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.605326 (E_RNA)
where:
Base-Base interactions energy: -499.174
where: short stacking energy: -197.730
Base-Backbone interact. energy: 0.441
local terms energy: -259.872238
where:
bonds (distance) C4'-P energy: -50.816
bonds (distance) P-C4' energy: -68.368
flat angles C4'-P-C4' energy: -74.909
flat angles P-C4'-P energy: -23.396
tors. eta vs tors. theta energy: -42.384
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -759.121957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.121957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.321957 (E_RNA)
where:
Base-Base interactions energy: -400.481
where: short stacking energy: -174.065
Base-Backbone interact. energy: 2.002
local terms energy: -259.842287
where:
bonds (distance) C4'-P energy: -61.422
bonds (distance) P-C4' energy: -58.138
flat angles C4'-P-C4' energy: -72.561
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -536.549951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.549951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.949951 (E_RNA)
where:
Base-Base interactions energy: -286.406
where: short stacking energy: -135.562
Base-Backbone interact. energy: 5.759
local terms energy: -207.302922
where:
bonds (distance) C4'-P energy: -53.438
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -44.842
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: -48.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1281.167857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.167857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.167857 (E_RNA)
where:
Base-Base interactions energy: -795.498
where: short stacking energy: -350.189
Base-Backbone interact. energy: -3.111
local terms energy: -374.558855
where:
bonds (distance) C4'-P energy: -74.852
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -63.401
tors. eta vs tors. theta energy: -91.188
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1307.182899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.182899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.782899 (E_RNA)
where:
Base-Base interactions energy: -804.325
where: short stacking energy: -349.062
Base-Backbone interact. energy: 1.423
local terms energy: -354.880238
where:
bonds (distance) C4'-P energy: -66.367
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -79.546
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -91.678
Dist. restrs. and SS energy: -149.400 (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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1170.796607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.796607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.196607 (E_RNA)
where:
Base-Base interactions energy: -720.055
where: short stacking energy: -321.251
Base-Backbone interact. energy: -0.957
local terms energy: -365.184348
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -76.303
flat angles C4'-P-C4' energy: -83.718
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -83.216
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1164.491226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.491226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.691226 (E_RNA)
where:
Base-Base interactions energy: -695.612
where: short stacking energy: -279.748
Base-Backbone interact. energy: 2.295
local terms energy: -307.373937
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -66.430
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -67.466
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1093.922098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.922098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.922098 (E_RNA)
where:
Base-Base interactions energy: -694.705
where: short stacking energy: -294.123
Base-Backbone interact. energy: 0.783
local terms energy: -318.999388
where:
bonds (distance) C4'-P energy: -63.206
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -70.182
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -77.196
Dist. restrs. and SS energy: -81.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1108.299449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.299449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.099449 (E_RNA)
where:
Base-Base interactions energy: -632.494
where: short stacking energy: -262.228
Base-Backbone interact. energy: -2.897
local terms energy: -294.708033
where:
bonds (distance) C4'-P energy: -56.520
bonds (distance) P-C4' energy: -64.747
flat angles C4'-P-C4' energy: -65.240
flat angles P-C4'-P energy: -39.750
tors. eta vs tors. theta energy: -68.450
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -991.536867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.536867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.736867 (E_RNA)
where:
Base-Base interactions energy: -554.684
where: short stacking energy: -243.987
Base-Backbone interact. energy: -2.530
local terms energy: -306.523100
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -59.465
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -868.029629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.029629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.229629 (E_RNA)
where:
Base-Base interactions energy: -520.562
where: short stacking energy: -211.809
Base-Backbone interact. energy: -2.488
local terms energy: -244.179514
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -45.113
flat angles C4'-P-C4' energy: -72.284
flat angles P-C4'-P energy: -26.822
tors. eta vs tors. theta energy: -43.124
Dist. restrs. and SS energy: -100.800 (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: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -759.551973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.551973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.951973 (E_RNA)
where:
Base-Base interactions energy: -393.901
where: short stacking energy: -151.536
Base-Backbone interact. energy: 4.282
local terms energy: -249.332494
where:
bonds (distance) C4'-P energy: -68.696
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -65.834
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: -120.600 (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: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -539.722111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.722111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.722111 (E_RNA)
where:
Base-Base interactions energy: -279.709
where: short stacking energy: -155.358
Base-Backbone interact. energy: -0.275
local terms energy: -214.737751
where:
bonds (distance) C4'-P energy: -51.966
bonds (distance) P-C4' energy: -62.356
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: -45.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1295.999591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.999591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.199591 (E_RNA)
where:
Base-Base interactions energy: -807.420
where: short stacking energy: -346.945
Base-Backbone interact. energy: -2.288
local terms energy: -376.491242
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -76.391
flat angles C4'-P-C4' energy: -84.777
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -87.439
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1307.045096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.045096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.845096 (E_RNA)
where:
Base-Base interactions energy: -778.499
where: short stacking energy: -307.268
Base-Backbone interact. energy: -1.088
local terms energy: -376.257974
where:
bonds (distance) C4'-P energy: -78.578
bonds (distance) P-C4' energy: -73.212
flat angles C4'-P-C4' energy: -78.618
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -89.605
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1199.077239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.077239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.677239 (E_RNA)
where:
Base-Base interactions energy: -697.196
where: short stacking energy: -297.978
Base-Backbone interact. energy: 0.060
local terms energy: -343.541305
where:
bonds (distance) C4'-P energy: -65.051
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -73.642
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -85.701
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1147.573921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.573921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.973921 (E_RNA)
where:
Base-Base interactions energy: -731.141
where: short stacking energy: -304.289
Base-Backbone interact. energy: -1.328
local terms energy: -330.505539
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -75.934
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -87.360
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1152.852960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.852960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.652960 (E_RNA)
where:
Base-Base interactions energy: -670.788
where: short stacking energy: -284.181
Base-Backbone interact. energy: 1.006
local terms energy: -295.871155
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -63.231
flat angles C4'-P-C4' energy: -71.771
flat angles P-C4'-P energy: -36.403
tors. eta vs tors. theta energy: -66.543
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1037.463710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.463710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.063710 (E_RNA)
where:
Base-Base interactions energy: -646.702
where: short stacking energy: -277.156
Base-Backbone interact. energy: -1.246
local terms energy: -303.115703
where:
bonds (distance) C4'-P energy: -60.115
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -80.888
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -929.553250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.553250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.753250 (E_RNA)
where:
Base-Base interactions energy: -538.841
where: short stacking energy: -216.205
Base-Backbone interact. energy: 0.325
local terms energy: -272.237516
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -54.289
flat angles P-C4'-P energy: -47.055
tors. eta vs tors. theta energy: -41.630
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -899.869803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.869803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.869803 (E_RNA)
where:
Base-Base interactions energy: -548.207
where: short stacking energy: -223.187
Base-Backbone interact. energy: -1.449
local terms energy: -242.214008
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -62.955
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -37.015
Dist. restrs. and SS energy: -108.000 (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: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -761.946615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.946615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.746615 (E_RNA)
where:
Base-Base interactions energy: -412.294
where: short stacking energy: -179.187
Base-Backbone interact. energy: -0.241
local terms energy: -234.211706
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -61.536
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: -115.200 (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: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -582.741842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.741842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.341842 (E_RNA)
where:
Base-Base interactions energy: -307.929
where: short stacking energy: -152.359
Base-Backbone interact. energy: 1.298
local terms energy: -225.710679
where:
bonds (distance) C4'-P energy: -57.626
bonds (distance) P-C4' energy: -58.785
flat angles C4'-P-C4' energy: -62.362
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: -50.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1277.445818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.445818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.845818 (E_RNA)
where:
Base-Base interactions energy: -817.454
where: short stacking energy: -345.211
Base-Backbone interact. energy: 0.225
local terms energy: -357.617555
where:
bonds (distance) C4'-P energy: -71.317
bonds (distance) P-C4' energy: -72.098
flat angles C4'-P-C4' energy: -75.789
flat angles P-C4'-P energy: -54.135
tors. eta vs tors. theta energy: -84.278
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1307.018047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.018047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.618047 (E_RNA)
where:
Base-Base interactions energy: -815.676
where: short stacking energy: -327.406
Base-Backbone interact. energy: -2.621
local terms energy: -339.321184
where:
bonds (distance) C4'-P energy: -64.639
bonds (distance) P-C4' energy: -66.991
flat angles C4'-P-C4' energy: -67.902
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -89.943
Dist. restrs. and SS energy: -149.400 (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: 35
Temperature: 1.000000
Total energy: -1194.942852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.942852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.742852 (E_RNA)
where:
Base-Base interactions energy: -720.086
where: short stacking energy: -309.050
Base-Backbone interact. energy: -0.391
local terms energy: -323.266521
where:
bonds (distance) C4'-P energy: -57.952
bonds (distance) P-C4' energy: -61.370
flat angles C4'-P-C4' energy: -71.298
flat angles P-C4'-P energy: -46.965
tors. eta vs tors. theta energy: -85.682
Dist. restrs. and SS energy: -151.200 (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: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1131.237510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.237510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.637510 (E_RNA)
where:
Base-Base interactions energy: -710.811
where: short stacking energy: -310.348
Base-Backbone interact. energy: -2.171
local terms energy: -333.655766
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -70.632
flat angles C4'-P-C4' energy: -77.483
flat angles P-C4'-P energy: -45.603
tors. eta vs tors. theta energy: -76.288
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1178.591239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.591239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.191239 (E_RNA)
where:
Base-Base interactions energy: -676.153
where: short stacking energy: -263.620
Base-Backbone interact. energy: 0.361
local terms energy: -317.399376
where:
bonds (distance) C4'-P energy: -71.487
bonds (distance) P-C4' energy: -66.949
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -66.884
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1004.747146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.747146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.947146 (E_RNA)
where:
Base-Base interactions energy: -609.211
where: short stacking energy: -245.801
Base-Backbone interact. energy: 3.854
local terms energy: -307.590026
where:
bonds (distance) C4'-P energy: -64.296
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -64.942
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -924.899679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.899679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.099679 (E_RNA)
where:
Base-Base interactions energy: -527.084
where: short stacking energy: -224.189
Base-Backbone interact. energy: -3.193
local terms energy: -275.822469
where:
bonds (distance) C4'-P energy: -57.753
bonds (distance) P-C4' energy: -51.522
flat angles C4'-P-C4' energy: -75.826
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -49.709
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -918.997352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.997352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.997352 (E_RNA)
where:
Base-Base interactions energy: -570.386
where: short stacking energy: -241.047
Base-Backbone interact. energy: 1.709
local terms energy: -251.320432
where:
bonds (distance) C4'-P energy: -48.949
bonds (distance) P-C4' energy: -47.964
flat angles C4'-P-C4' energy: -69.013
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: -99.000 (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: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -762.668557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.668557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.268557 (E_RNA)
where:
Base-Base interactions energy: -400.979
where: short stacking energy: -179.557
Base-Backbone interact. energy: -0.422
local terms energy: -238.867570
where:
bonds (distance) C4'-P energy: -60.725
bonds (distance) P-C4' energy: -54.484
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -23.725
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -584.491976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.491976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.891976 (E_RNA)
where:
Base-Base interactions energy: -310.728
where: short stacking energy: -141.433
Base-Backbone interact. energy: -0.901
local terms energy: -206.263242
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -58.514
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: -66.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1333.480761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.480761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.080761 (E_RNA)
where:
Base-Base interactions energy: -818.103
where: short stacking energy: -332.979
Base-Backbone interact. energy: -1.077
local terms energy: -364.900894
where:
bonds (distance) C4'-P energy: -74.017
bonds (distance) P-C4' energy: -75.321
flat angles C4'-P-C4' energy: -75.882
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1259.270306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.270306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.670306 (E_RNA)
where:
Base-Base interactions energy: -787.475
where: short stacking energy: -331.390
Base-Backbone interact. energy: -1.766
local terms energy: -367.430221
where:
bonds (distance) C4'-P energy: -82.216
bonds (distance) P-C4' energy: -71.897
flat angles C4'-P-C4' energy: -79.834
flat angles P-C4'-P energy: -48.278
tors. eta vs tors. theta energy: -85.204
Dist. restrs. and SS energy: -102.600 (S_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: 36
Temperature: 1.000000
Total energy: -1180.212307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.212307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.612307 (E_RNA)
where:
Base-Base interactions energy: -732.935
where: short stacking energy: -312.886
Base-Backbone interact. energy: -1.763
local terms energy: -360.914178
where:
bonds (distance) C4'-P energy: -64.327
bonds (distance) P-C4' energy: -75.869
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -54.573
tors. eta vs tors. theta energy: -90.638
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1152.847854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.847854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.447854 (E_RNA)
where:
Base-Base interactions energy: -678.436
where: short stacking energy: -267.741
Base-Backbone interact. energy: -1.546
local terms energy: -314.466075
where:
bonds (distance) C4'-P energy: -61.177
bonds (distance) P-C4' energy: -72.466
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -71.175
Dist. restrs. and SS energy: -158.400 (S_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: 36
Temperature: 1.100000
Total energy: -1204.879060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.879060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.279060 (E_RNA)
where:
Base-Base interactions energy: -698.905
where: short stacking energy: -275.448
Base-Backbone interact. energy: -3.440
local terms energy: -318.933625
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -68.681
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -68.795
Dist. restrs. and SS energy: -183.600 (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: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -999.714647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.714647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.314647 (E_RNA)
where:
Base-Base interactions energy: -624.551
where: short stacking energy: -250.707
Base-Backbone interact. energy: 3.030
local terms energy: -291.793660
where:
bonds (distance) C4'-P energy: -71.414
bonds (distance) P-C4' energy: -66.723
flat angles C4'-P-C4' energy: -53.591
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -52.968
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -927.060303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.060303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.260303 (E_RNA)
where:
Base-Base interactions energy: -516.206
where: short stacking energy: -193.132
Base-Backbone interact. energy: -3.765
local terms energy: -288.288648
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -75.389
flat angles C4'-P-C4' energy: -65.329
flat angles P-C4'-P energy: -47.424
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -932.241306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.241306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.641306 (E_RNA)
where:
Base-Base interactions energy: -553.186
where: short stacking energy: -224.958
Base-Backbone interact. energy: 0.774
local terms energy: -268.229656
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -77.764
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -31.314
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: -111.600 (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: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -744.850179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.850179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.250179 (E_RNA)
where:
Base-Base interactions energy: -391.154
where: short stacking energy: -165.101
Base-Backbone interact. energy: -3.322
local terms energy: -238.774543
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -62.730
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: -111.600 (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: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -603.403784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.403784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.003784 (E_RNA)
where:
Base-Base interactions energy: -313.699
where: short stacking energy: -153.358
Base-Backbone interact. energy: 1.973
local terms energy: -214.278611
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -48.338
flat angles C4'-P-C4' energy: -69.639
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: -77.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1346.085870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.085870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.685870 (E_RNA)
where:
Base-Base interactions energy: -818.598
where: short stacking energy: -338.136
Base-Backbone interact. energy: -1.463
local terms energy: -376.625565
where:
bonds (distance) C4'-P energy: -80.887
bonds (distance) P-C4' energy: -77.520
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -104.471
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1224.017649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.017649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.417649 (E_RNA)
where:
Base-Base interactions energy: -772.078
where: short stacking energy: -333.382
Base-Backbone interact. energy: -1.971
local terms energy: -338.368591
where:
bonds (distance) C4'-P energy: -71.929
bonds (distance) P-C4' energy: -58.986
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: -81.620
Dist. restrs. and SS energy: -111.600 (S_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: 37
Temperature: 1.000000
Total energy: -1220.323400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.323400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.923400 (E_RNA)
where:
Base-Base interactions energy: -781.383
where: short stacking energy: -332.952
Base-Backbone interact. energy: -2.658
local terms energy: -349.883062
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -77.087
flat angles P-C4'-P energy: -51.167
tors. eta vs tors. theta energy: -91.686
Dist. restrs. and SS energy: -86.400 (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: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1287.163935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.163935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.763935 (E_RNA)
where:
Base-Base interactions energy: -753.605
where: short stacking energy: -299.455
Base-Backbone interact. energy: -2.029
local terms energy: -346.130435
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -77.865
flat angles P-C4'-P energy: -51.964
tors. eta vs tors. theta energy: -77.651
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1127.915503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.915503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.715503 (E_RNA)
where:
Base-Base interactions energy: -674.971
where: short stacking energy: -273.358
Base-Backbone interact. energy: 0.462
local terms energy: -302.207141
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -69.491
flat angles C4'-P-C4' energy: -62.925
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -71.798
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1016.410051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.410051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.210051 (E_RNA)
where:
Base-Base interactions energy: -635.663
where: short stacking energy: -244.967
Base-Backbone interact. energy: 3.659
local terms energy: -296.206133
where:
bonds (distance) C4'-P energy: -68.690
bonds (distance) P-C4' energy: -64.321
flat angles C4'-P-C4' energy: -59.987
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -58.098
Dist. restrs. and SS energy: -88.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -925.413836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.413836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.613836 (E_RNA)
where:
Base-Base interactions energy: -525.433
where: short stacking energy: -228.697
Base-Backbone interact. energy: -1.679
local terms energy: -279.501997
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -74.525
flat angles C4'-P-C4' energy: -60.389
flat angles P-C4'-P energy: -46.964
tors. eta vs tors. theta energy: -44.600
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -923.453344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.453344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.653344 (E_RNA)
where:
Base-Base interactions energy: -532.839
where: short stacking energy: -223.934
Base-Backbone interact. energy: -1.081
local terms energy: -279.733542
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -63.243
flat angles C4'-P-C4' energy: -71.788
flat angles P-C4'-P energy: -43.748
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: -109.800 (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: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -792.848129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.848129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.248129 (E_RNA)
where:
Base-Base interactions energy: -441.553
where: short stacking energy: -191.542
Base-Backbone interact. energy: -0.504
local terms energy: -230.191407
where:
bonds (distance) C4'-P energy: -43.874
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -30.390
Dist. restrs. and SS energy: -120.600 (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: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -661.826601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.826601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.026601 (E_RNA)
where:
Base-Base interactions energy: -351.860
where: short stacking energy: -170.673
Base-Backbone interact. energy: -0.629
local terms energy: -217.537553
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -61.734
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -26.147
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1364.070941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.070941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.670941 (E_RNA)
where:
Base-Base interactions energy: -835.755
where: short stacking energy: -371.593
Base-Backbone interact. energy: -0.807
local terms energy: -378.108457
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -82.587
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -101.331
Dist. restrs. and SS energy: -149.400 (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: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1223.829544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.829544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.829544 (E_RNA)
where:
Base-Base interactions energy: -741.163
where: short stacking energy: -326.230
Base-Backbone interact. energy: -0.661
local terms energy: -374.005457
where:
bonds (distance) C4'-P energy: -79.108
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -83.690
flat angles P-C4'-P energy: -52.716
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: -108.000 (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: 38
Temperature: 1.000000
Total energy: -1289.740864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.740864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.940864 (E_RNA)
where:
Base-Base interactions energy: -746.768
where: short stacking energy: -322.826
Base-Backbone interact. energy: -4.021
local terms energy: -357.152422
where:
bonds (distance) C4'-P energy: -58.778
bonds (distance) P-C4' energy: -74.066
flat angles C4'-P-C4' energy: -83.893
flat angles P-C4'-P energy: -47.888
tors. eta vs tors. theta energy: -92.528
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1194.394963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.394963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.794963 (E_RNA)
where:
Base-Base interactions energy: -747.578
where: short stacking energy: -322.051
Base-Backbone interact. energy: -1.862
local terms energy: -360.355049
where:
bonds (distance) C4'-P energy: -70.440
bonds (distance) P-C4' energy: -81.405
flat angles C4'-P-C4' energy: -63.409
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: -92.413
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1160.956198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.956198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.356198 (E_RNA)
where:
Base-Base interactions energy: -651.813
where: short stacking energy: -250.110
Base-Backbone interact. energy: -3.009
local terms energy: -349.533539
where:
bonds (distance) C4'-P energy: -80.271
bonds (distance) P-C4' energy: -73.307
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -41.340
tors. eta vs tors. theta energy: -74.011
Dist. restrs. and SS energy: -156.600 (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: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -986.267306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.267306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.267306 (E_RNA)
where:
Base-Base interactions energy: -603.434
where: short stacking energy: -239.081
Base-Backbone interact. energy: -2.958
local terms energy: -289.875342
where:
bonds (distance) C4'-P energy: -67.801
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: -54.299
Dist. restrs. and SS energy: -90.000 (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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -994.466832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.466832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.266832 (E_RNA)
where:
Base-Base interactions energy: -557.006
where: short stacking energy: -228.947
Base-Backbone interact. energy: -1.862
local terms energy: -311.398215
where:
bonds (distance) C4'-P energy: -64.367
bonds (distance) P-C4' energy: -65.556
flat angles C4'-P-C4' energy: -75.673
flat angles P-C4'-P energy: -53.501
tors. eta vs tors. theta energy: -52.300
Dist. restrs. and SS energy: -124.200 (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: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -982.762102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.762102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.562102 (E_RNA)
where:
Base-Base interactions energy: -576.250
where: short stacking energy: -239.511
Base-Backbone interact. energy: 0.650
local terms energy: -291.961799
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -80.083
flat angles C4'-P-C4' energy: -57.747
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -58.514
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -736.215740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.215740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.615740 (E_RNA)
where:
Base-Base interactions energy: -408.920
where: short stacking energy: -179.797
Base-Backbone interact. energy: 0.920
local terms energy: -207.615504
where:
bonds (distance) C4'-P energy: -62.052
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -46.675
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: -120.600 (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: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -740.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.437903 (E_RNA)
where:
Base-Base interactions energy: -398.461
where: short stacking energy: -171.038
Base-Backbone interact. energy: -1.485
local terms energy: -250.491541
where:
bonds (distance) C4'-P energy: -59.499
bonds (distance) P-C4' energy: -60.946
flat angles C4'-P-C4' energy: -59.174
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1350.854334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.854334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.654334 (E_RNA)
where:
Base-Base interactions energy: -817.810
where: short stacking energy: -336.572
Base-Backbone interact. energy: -2.970
local terms energy: -378.874403
where:
bonds (distance) C4'-P energy: -73.767
bonds (distance) P-C4' energy: -64.185
flat angles C4'-P-C4' energy: -79.940
flat angles P-C4'-P energy: -57.473
tors. eta vs tors. theta energy: -103.510
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1314.815071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.215071 (E_RNA)
where:
Base-Base interactions energy: -781.851
where: short stacking energy: -323.425
Base-Backbone interact. energy: -2.746
local terms energy: -346.618900
where:
bonds (distance) C4'-P energy: -69.320
bonds (distance) P-C4' energy: -69.927
flat angles C4'-P-C4' energy: -74.109
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -85.927
Dist. restrs. and SS energy: -183.600 (S_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: 39
Temperature: 1.000000
Total energy: -1212.861564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.861564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.861564 (E_RNA)
where:
Base-Base interactions energy: -736.337
where: short stacking energy: -315.151
Base-Backbone interact. energy: -1.519
local terms energy: -367.005572
where:
bonds (distance) C4'-P energy: -75.090
bonds (distance) P-C4' energy: -79.535
flat angles C4'-P-C4' energy: -82.197
flat angles P-C4'-P energy: -41.489
tors. eta vs tors. theta energy: -88.694
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1202.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.566873 (E_RNA)
where:
Base-Base interactions energy: -707.994
where: short stacking energy: -283.697
Base-Backbone interact. energy: -3.278
local terms energy: -331.295397
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -79.137
Dist. restrs. and SS energy: -160.200 (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: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1107.195277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.195277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.595277 (E_RNA)
where:
Base-Base interactions energy: -687.078
where: short stacking energy: -276.046
Base-Backbone interact. energy: -1.133
local terms energy: -334.384140
where:
bonds (distance) C4'-P energy: -69.614
bonds (distance) P-C4' energy: -66.748
flat angles C4'-P-C4' energy: -72.360
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -80.476
Dist. restrs. and SS energy: -84.600 (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: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1006.082234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.082234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.282234 (E_RNA)
where:
Base-Base interactions energy: -589.658
where: short stacking energy: -244.156
Base-Backbone interact. energy: -0.916
local terms energy: -323.708356
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -73.062
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -65.616
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -947.334273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.334273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.534273 (E_RNA)
where:
Base-Base interactions energy: -563.175
where: short stacking energy: -221.717
Base-Backbone interact. energy: 1.081
local terms energy: -266.439891
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -64.975
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -936.156923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.156923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.556923 (E_RNA)
where:
Base-Base interactions energy: -538.631
where: short stacking energy: -223.228
Base-Backbone interact. energy: -2.020
local terms energy: -274.906118
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -70.188
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -57.381
Dist. restrs. and SS energy: -120.600 (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: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -757.159454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.159454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.959454 (E_RNA)
where:
Base-Base interactions energy: -419.047
where: short stacking energy: -162.878
Base-Backbone interact. energy: 6.131
local terms energy: -220.044050
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -30.898
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: -124.200 (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: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -758.370241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.370241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.370241 (E_RNA)
where:
Base-Base interactions energy: -436.845
where: short stacking energy: -189.893
Base-Backbone interact. energy: -3.272
local terms energy: -228.253306
where:
bonds (distance) C4'-P energy: -55.173
bonds (distance) P-C4' energy: -59.379
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1342.727460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.727460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.527460 (E_RNA)
where:
Base-Base interactions energy: -810.796
where: short stacking energy: -349.853
Base-Backbone interact. energy: -0.507
local terms energy: -380.224955
where:
bonds (distance) C4'-P energy: -78.027
bonds (distance) P-C4' energy: -69.680
flat angles C4'-P-C4' energy: -80.580
flat angles P-C4'-P energy: -53.151
tors. eta vs tors. theta energy: -98.787
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1330.621103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.621103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.221103 (E_RNA)
where:
Base-Base interactions energy: -791.195
where: short stacking energy: -322.310
Base-Backbone interact. energy: -0.796
local terms energy: -353.230155
where:
bonds (distance) C4'-P energy: -69.444
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -55.749
tors. eta vs tors. theta energy: -87.160
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1217.440885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.440885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.640885 (E_RNA)
where:
Base-Base interactions energy: -735.366
where: short stacking energy: -326.847
Base-Backbone interact. energy: -2.490
local terms energy: -360.784580
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -73.665
flat angles C4'-P-C4' energy: -78.683
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: -91.071
Dist. restrs. and SS energy: -118.800 (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: 40
Temperature: 1.050000
Total energy: -1226.564394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.564394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.564394 (E_RNA)
where:
Base-Base interactions energy: -742.044
where: short stacking energy: -324.731
Base-Backbone interact. energy: -4.410
local terms energy: -327.110282
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -73.170
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -86.759
Dist. restrs. and SS energy: -153.000 (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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1064.903485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.903485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.103485 (E_RNA)
where:
Base-Base interactions energy: -663.083
where: short stacking energy: -277.834
Base-Backbone interact. energy: -2.709
local terms energy: -307.311433
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -73.855
flat angles C4'-P-C4' energy: -63.877
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -68.153
Dist. restrs. and SS energy: -91.800 (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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1061.122779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.122779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.722779 (E_RNA)
where:
Base-Base interactions energy: -651.482
where: short stacking energy: -245.544
Base-Backbone interact. energy: -2.712
local terms energy: -320.529046
where:
bonds (distance) C4'-P energy: -65.474
bonds (distance) P-C4' energy: -72.781
flat angles C4'-P-C4' energy: -67.945
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -68.118
Dist. restrs. and SS energy: -86.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1030.527328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.527328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.327328 (E_RNA)
where:
Base-Base interactions energy: -619.546
where: short stacking energy: -273.044
Base-Backbone interact. energy: -0.907
local terms energy: -276.874539
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -59.606
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -64.862
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -904.853733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.853733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.853733 (E_RNA)
where:
Base-Base interactions energy: -533.611
where: short stacking energy: -216.959
Base-Backbone interact. energy: -3.060
local terms energy: -251.181909
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -61.608
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -37.639
Dist. restrs. and SS energy: -117.000 (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: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -792.643196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.643196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.643196 (E_RNA)
where:
Base-Base interactions energy: -434.080
where: short stacking energy: -192.893
Base-Backbone interact. energy: -1.692
local terms energy: -266.870390
where:
bonds (distance) C4'-P energy: -64.741
bonds (distance) P-C4' energy: -59.644
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -36.300
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -756.780061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.780061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.580061 (E_RNA)
where:
Base-Base interactions energy: -411.129
where: short stacking energy: -177.502
Base-Backbone interact. energy: 2.366
local terms energy: -232.817422
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -66.565
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1358.460490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.460490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.060490 (E_RNA)
where:
Base-Base interactions energy: -825.770
where: short stacking energy: -343.563
Base-Backbone interact. energy: -1.861
local terms energy: -381.428564
where:
bonds (distance) C4'-P energy: -66.787
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -77.821
flat angles P-C4'-P energy: -57.004
tors. eta vs tors. theta energy: -101.887
Dist. restrs. and SS energy: -149.400 (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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1350.310535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.310535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.110535 (E_RNA)
where:
Base-Base interactions energy: -795.817
where: short stacking energy: -325.790
Base-Backbone interact. energy: -2.461
local terms energy: -364.831980
where:
bonds (distance) C4'-P energy: -66.532
bonds (distance) P-C4' energy: -70.072
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -59.654
tors. eta vs tors. theta energy: -90.867
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1205.105059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.105059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.305059 (E_RNA)
where:
Base-Base interactions energy: -722.115
where: short stacking energy: -318.453
Base-Backbone interact. energy: 1.447
local terms energy: -365.637496
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -71.608
flat angles C4'-P-C4' energy: -74.697
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -90.738
Dist. restrs. and SS energy: -118.800 (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: 41
Temperature: 1.050000
Total energy: -1227.267201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.267201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.867201 (E_RNA)
where:
Base-Base interactions energy: -725.129
where: short stacking energy: -291.467
Base-Backbone interact. energy: -1.359
local terms energy: -342.379465
where:
bonds (distance) C4'-P energy: -69.907
bonds (distance) P-C4' energy: -71.007
flat angles C4'-P-C4' energy: -81.991
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -75.517
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1089.614802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.614802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.014802 (E_RNA)
where:
Base-Base interactions energy: -642.216
where: short stacking energy: -287.708
Base-Backbone interact. energy: -4.166
local terms energy: -349.633572
where:
bonds (distance) C4'-P energy: -69.484
bonds (distance) P-C4' energy: -59.982
flat angles C4'-P-C4' energy: -79.983
flat angles P-C4'-P energy: -58.872
tors. eta vs tors. theta energy: -81.312
Dist. restrs. and SS energy: -93.600 (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: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1058.036313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.036313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.436313 (E_RNA)
where:
Base-Base interactions energy: -656.265
where: short stacking energy: -263.885
Base-Backbone interact. energy: -0.998
local terms energy: -316.173239
where:
bonds (distance) C4'-P energy: -62.994
bonds (distance) P-C4' energy: -63.888
flat angles C4'-P-C4' energy: -73.585
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -74.144
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1003.096456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.096456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.696456 (E_RNA)
where:
Base-Base interactions energy: -573.416
where: short stacking energy: -234.476
Base-Backbone interact. energy: 0.576
local terms energy: -298.856804
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -63.947
flat angles P-C4'-P energy: -52.299
tors. eta vs tors. theta energy: -53.383
Dist. restrs. and SS energy: -131.400 (S_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: 41
Temperature: 1.250000
Total energy: -899.235955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.235955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.035955 (E_RNA)
where:
Base-Base interactions energy: -528.784
where: short stacking energy: -222.059
Base-Backbone interact. energy: 2.208
local terms energy: -257.460848
where:
bonds (distance) C4'-P energy: -65.189
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -835.504708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.504708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.304708 (E_RNA)
where:
Base-Base interactions energy: -481.645
where: short stacking energy: -198.233
Base-Backbone interact. energy: 4.095
local terms energy: -260.755269
where:
bonds (distance) C4'-P energy: -52.333
bonds (distance) P-C4' energy: -64.926
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: -53.592
Dist. restrs. and SS energy: -97.200 (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: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -705.300187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.300187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.900187 (E_RNA)
where:
Base-Base interactions energy: -362.533
where: short stacking energy: -166.196
Base-Backbone interact. energy: -0.825
local terms energy: -228.541870
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -59.758
flat angles C4'-P-C4' energy: -46.760
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1357.700165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.700165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.300165 (E_RNA)
where:
Base-Base interactions energy: -813.062
where: short stacking energy: -330.113
Base-Backbone interact. energy: -0.663
local terms energy: -358.575945
where:
bonds (distance) C4'-P energy: -71.250
bonds (distance) P-C4' energy: -79.731
flat angles C4'-P-C4' energy: -71.920
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -84.478
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1300.940698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.940698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.540698 (E_RNA)
where:
Base-Base interactions energy: -784.107
where: short stacking energy: -327.605
Base-Backbone interact. energy: -2.018
local terms energy: -365.416139
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -78.994
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -38.376
tors. eta vs tors. theta energy: -101.051
Dist. restrs. and SS energy: -149.400 (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: 42
Temperature: 1.000000
Total energy: -1240.537274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.537274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.137274 (E_RNA)
where:
Base-Base interactions energy: -736.839
where: short stacking energy: -309.061
Base-Backbone interact. energy: -0.834
local terms energy: -344.464495
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -70.646
flat angles P-C4'-P energy: -54.445
tors. eta vs tors. theta energy: -84.305
Dist. restrs. and SS energy: -158.400 (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: 42
Temperature: 1.050000
Total energy: -1184.638193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.638193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.838193 (E_RNA)
where:
Base-Base interactions energy: -698.368
where: short stacking energy: -301.730
Base-Backbone interact. energy: -1.728
local terms energy: -365.742807
where:
bonds (distance) C4'-P energy: -78.364
bonds (distance) P-C4' energy: -75.434
flat angles C4'-P-C4' energy: -74.399
flat angles P-C4'-P energy: -50.112
tors. eta vs tors. theta energy: -87.434
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1072.797479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.797479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.997479 (E_RNA)
where:
Base-Base interactions energy: -668.337
where: short stacking energy: -292.678
Base-Backbone interact. energy: -0.576
local terms energy: -312.084526
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -58.477
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -79.866
Dist. restrs. and SS energy: -91.800 (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: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1060.295812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.295812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.695812 (E_RNA)
where:
Base-Base interactions energy: -671.179
where: short stacking energy: -284.473
Base-Backbone interact. energy: 2.336
local terms energy: -306.853072
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -58.012
flat angles C4'-P-C4' energy: -72.756
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -83.512
Dist. restrs. and SS energy: -84.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1020.905937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.905937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.305937 (E_RNA)
where:
Base-Base interactions energy: -588.370
where: short stacking energy: -237.620
Base-Backbone interact. energy: -2.158
local terms energy: -282.778074
where:
bonds (distance) C4'-P energy: -45.503
bonds (distance) P-C4' energy: -64.608
flat angles C4'-P-C4' energy: -71.850
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -52.591
Dist. restrs. and SS energy: -147.600 (S_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: 42
Temperature: 1.250000
Total energy: -875.095284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.095284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.295284 (E_RNA)
where:
Base-Base interactions energy: -518.428
where: short stacking energy: -199.690
Base-Backbone interact. energy: -3.092
local terms energy: -225.775308
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -55.905
flat angles C4'-P-C4' energy: -63.970
flat angles P-C4'-P energy: -31.695
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: -127.800 (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: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -794.253382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.253382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.053382 (E_RNA)
where:
Base-Base interactions energy: -447.986
where: short stacking energy: -191.471
Base-Backbone interact. energy: -0.518
local terms energy: -257.549855
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -63.969
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: -88.200 (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: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -722.015130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.015130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.615130 (E_RNA)
where:
Base-Base interactions energy: -384.123
where: short stacking energy: -169.961
Base-Backbone interact. energy: -1.639
local terms energy: -222.852791
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -64.277
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1339.294967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.294967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.094967 (E_RNA)
where:
Base-Base interactions energy: -786.895
where: short stacking energy: -322.967
Base-Backbone interact. energy: -2.883
local terms energy: -362.316724
where:
bonds (distance) C4'-P energy: -68.881
bonds (distance) P-C4' energy: -82.245
flat angles C4'-P-C4' energy: -79.821
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -83.799
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1301.337447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.337447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.737447 (E_RNA)
where:
Base-Base interactions energy: -795.204
where: short stacking energy: -327.123
Base-Backbone interact. energy: -1.204
local terms energy: -357.329280
where:
bonds (distance) C4'-P energy: -74.691
bonds (distance) P-C4' energy: -59.349
flat angles C4'-P-C4' energy: -79.253
flat angles P-C4'-P energy: -43.905
tors. eta vs tors. theta energy: -100.131
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1235.846924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.846924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.446924 (E_RNA)
where:
Base-Base interactions energy: -733.314
where: short stacking energy: -299.797
Base-Backbone interact. energy: -0.647
local terms energy: -343.485421
where:
bonds (distance) C4'-P energy: -70.923
bonds (distance) P-C4' energy: -78.052
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -78.873
Dist. restrs. and SS energy: -158.400 (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: 43
Temperature: 1.050000
Total energy: -1186.744445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.744445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.544445 (E_RNA)
where:
Base-Base interactions energy: -721.865
where: short stacking energy: -308.016
Base-Backbone interact. energy: -3.219
local terms energy: -346.460335
where:
bonds (distance) C4'-P energy: -73.821
bonds (distance) P-C4' energy: -72.060
flat angles C4'-P-C4' energy: -70.694
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -84.700
Dist. restrs. and SS energy: -115.200 (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: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1069.999671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.999671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.999671 (E_RNA)
where:
Base-Base interactions energy: -651.841
where: short stacking energy: -263.058
Base-Backbone interact. energy: -0.305
local terms energy: -327.854383
where:
bonds (distance) C4'-P energy: -66.458
bonds (distance) P-C4' energy: -73.231
flat angles C4'-P-C4' energy: -73.037
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -65.038
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1102.010027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.010027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.210027 (E_RNA)
where:
Base-Base interactions energy: -680.347
where: short stacking energy: -285.751
Base-Backbone interact. energy: -0.463
local terms energy: -338.400365
where:
bonds (distance) C4'-P energy: -68.600
bonds (distance) P-C4' energy: -73.215
flat angles C4'-P-C4' energy: -76.831
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -76.725
Dist. restrs. and SS energy: -82.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1020.945624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.945624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.145624 (E_RNA)
where:
Base-Base interactions energy: -583.093
where: short stacking energy: -250.324
Base-Backbone interact. energy: -0.821
local terms energy: -291.231372
where:
bonds (distance) C4'-P energy: -59.509
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -67.984
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -58.737
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -936.843297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.843297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.443297 (E_RNA)
where:
Base-Base interactions energy: -529.909
where: short stacking energy: -228.150
Base-Backbone interact. energy: -1.520
local terms energy: -274.013959
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -62.772
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -49.800
Dist. restrs. and SS energy: -131.400 (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: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -774.761210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.761210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.161210 (E_RNA)
where:
Base-Base interactions energy: -431.358
where: short stacking energy: -195.168
Base-Backbone interact. energy: 0.642
local terms energy: -250.444983
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -37.613
Dist. restrs. and SS energy: -93.600 (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: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -733.223055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.223055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.823055 (E_RNA)
where:
Base-Base interactions energy: -400.966
where: short stacking energy: -191.286
Base-Backbone interact. energy: 2.507
local terms energy: -221.364852
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -60.946
flat angles C4'-P-C4' energy: -50.124
flat angles P-C4'-P energy: -36.750
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1385.271178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.271178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.071178 (E_RNA)
where:
Base-Base interactions energy: -820.012
where: short stacking energy: -334.345
Base-Backbone interact. energy: -4.383
local terms energy: -373.675594
where:
bonds (distance) C4'-P energy: -72.700
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -88.555
flat angles P-C4'-P energy: -55.246
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1312.825974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.825974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.625974 (E_RNA)
where:
Base-Base interactions energy: -776.127
where: short stacking energy: -324.398
Base-Backbone interact. energy: -1.735
local terms energy: -383.764201
where:
bonds (distance) C4'-P energy: -80.503
bonds (distance) P-C4' energy: -77.331
flat angles C4'-P-C4' energy: -81.070
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: -91.910
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1234.827352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.827352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.427352 (E_RNA)
where:
Base-Base interactions energy: -728.179
where: short stacking energy: -293.534
Base-Backbone interact. energy: -0.711
local terms energy: -347.537342
where:
bonds (distance) C4'-P energy: -67.575
bonds (distance) P-C4' energy: -73.701
flat angles C4'-P-C4' energy: -79.635
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -82.645
Dist. restrs. and SS energy: -158.400 (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: 44
Temperature: 1.050000
Total energy: -1176.034559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.034559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.434559 (E_RNA)
where:
Base-Base interactions energy: -704.739
where: short stacking energy: -300.707
Base-Backbone interact. energy: -1.311
local terms energy: -349.385006
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -74.738
flat angles C4'-P-C4' energy: -84.957
flat angles P-C4'-P energy: -43.179
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1108.426167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.426167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.826167 (E_RNA)
where:
Base-Base interactions energy: -688.895
where: short stacking energy: -279.493
Base-Backbone interact. energy: -1.969
local terms energy: -323.962396
where:
bonds (distance) C4'-P energy: -68.857
bonds (distance) P-C4' energy: -64.038
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -74.399
Dist. restrs. and SS energy: -93.600 (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: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1061.566239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.566239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.166239 (E_RNA)
where:
Base-Base interactions energy: -666.506
where: short stacking energy: -293.921
Base-Backbone interact. energy: -2.420
local terms energy: -297.240671
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -58.980
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -71.093
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1051.035009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.835009 (E_RNA)
where:
Base-Base interactions energy: -588.873
where: short stacking energy: -236.141
Base-Backbone interact. energy: -3.133
local terms energy: -316.828799
where:
bonds (distance) C4'-P energy: -61.627
bonds (distance) P-C4' energy: -70.378
flat angles C4'-P-C4' energy: -73.263
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: -66.357
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -960.010022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.010022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.810022 (E_RNA)
where:
Base-Base interactions energy: -548.309
where: short stacking energy: -215.506
Base-Backbone interact. energy: 1.599
local terms energy: -280.099947
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -73.721
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -44.520
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -784.530347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.530347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.930347 (E_RNA)
where:
Base-Base interactions energy: -421.614
where: short stacking energy: -201.181
Base-Backbone interact. energy: 1.686
local terms energy: -244.001910
where:
bonds (distance) C4'-P energy: -49.088
bonds (distance) P-C4' energy: -57.884
flat angles C4'-P-C4' energy: -58.172
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: -120.600 (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: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -770.031552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.031552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.031552 (E_RNA)
where:
Base-Base interactions energy: -470.239
where: short stacking energy: -190.553
Base-Backbone interact. energy: -0.460
local terms energy: -200.332411
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1365.489750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.489750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.089750 (E_RNA)
where:
Base-Base interactions energy: -815.422
where: short stacking energy: -317.604
Base-Backbone interact. energy: -1.879
local terms energy: -362.789141
where:
bonds (distance) C4'-P energy: -67.321
bonds (distance) P-C4' energy: -83.433
flat angles C4'-P-C4' energy: -81.532
flat angles P-C4'-P energy: -51.728
tors. eta vs tors. theta energy: -78.775
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1266.681887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.681887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.481887 (E_RNA)
where:
Base-Base interactions energy: -772.174
where: short stacking energy: -305.612
Base-Backbone interact. energy: -0.933
local terms energy: -333.375075
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -70.156
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -44.686
tors. eta vs tors. theta energy: -77.350
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1283.676863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.676863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.476863 (E_RNA)
where:
Base-Base interactions energy: -764.270
where: short stacking energy: -332.438
Base-Backbone interact. energy: -0.301
local terms energy: -367.905525
where:
bonds (distance) C4'-P energy: -68.927
bonds (distance) P-C4' energy: -74.087
flat angles C4'-P-C4' energy: -78.880
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -97.232
Dist. restrs. and SS energy: -151.200 (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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1119.352112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.352112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.352112 (E_RNA)
where:
Base-Base interactions energy: -686.523
where: short stacking energy: -275.765
Base-Backbone interact. energy: 3.043
local terms energy: -336.872031
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -69.248
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -80.450
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1122.994579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.994579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.794579 (E_RNA)
where:
Base-Base interactions energy: -687.326
where: short stacking energy: -284.116
Base-Backbone interact. energy: 3.522
local terms energy: -314.991312
where:
bonds (distance) C4'-P energy: -72.315
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -56.467
tors. eta vs tors. theta energy: -70.932
Dist. restrs. and SS energy: -124.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1067.851055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.851055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.451055 (E_RNA)
where:
Base-Base interactions energy: -674.232
where: short stacking energy: -293.009
Base-Backbone interact. energy: -0.891
local terms energy: -297.327348
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -54.853
flat angles C4'-P-C4' energy: -71.717
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -77.258
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1081.203073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.203073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.403073 (E_RNA)
where:
Base-Base interactions energy: -636.326
where: short stacking energy: -281.084
Base-Backbone interact. energy: -0.806
local terms energy: -298.271103
where:
bonds (distance) C4'-P energy: -59.457
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -68.489
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -66.815
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -968.737169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.737169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.137169 (E_RNA)
where:
Base-Base interactions energy: -570.085
where: short stacking energy: -247.453
Base-Backbone interact. energy: 0.426
local terms energy: -269.477737
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -63.536
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -44.779
Dist. restrs. and SS energy: -129.600 (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: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -760.059656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.059656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.459656 (E_RNA)
where:
Base-Base interactions energy: -395.644
where: short stacking energy: -184.768
Base-Backbone interact. energy: -0.785
local terms energy: -243.030292
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -64.779
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: -120.600 (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: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -802.103484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.103484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.903484 (E_RNA)
where:
Base-Base interactions energy: -470.536
where: short stacking energy: -205.056
Base-Backbone interact. energy: -1.350
local terms energy: -224.016940
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -36.306
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1390.195537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.195537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.795537 (E_RNA)
where:
Base-Base interactions energy: -827.832
where: short stacking energy: -336.603
Base-Backbone interact. energy: -3.173
local terms energy: -373.790482
where:
bonds (distance) C4'-P energy: -75.989
bonds (distance) P-C4' energy: -78.681
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -51.231
tors. eta vs tors. theta energy: -92.435
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1286.075621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.075621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.675621 (E_RNA)
where:
Base-Base interactions energy: -768.994
where: short stacking energy: -334.465
Base-Backbone interact. energy: 3.171
local terms energy: -361.852368
where:
bonds (distance) C4'-P energy: -75.786
bonds (distance) P-C4' energy: -70.615
flat angles C4'-P-C4' energy: -78.907
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -87.429
Dist. restrs. and SS energy: -158.400 (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: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1260.635556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.635556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.435556 (E_RNA)
where:
Base-Base interactions energy: -759.034
where: short stacking energy: -318.714
Base-Backbone interact. energy: -3.217
local terms energy: -347.184185
where:
bonds (distance) C4'-P energy: -62.506
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -76.757
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -88.071
Dist. restrs. and SS energy: -151.200 (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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1126.838125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.838125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.238125 (E_RNA)
where:
Base-Base interactions energy: -686.859
where: short stacking energy: -281.134
Base-Backbone interact. energy: -0.265
local terms energy: -346.113809
where:
bonds (distance) C4'-P energy: -74.149
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -44.992
tors. eta vs tors. theta energy: -78.732
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1162.499339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.499339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.499339 (E_RNA)
where:
Base-Base interactions energy: -715.801
where: short stacking energy: -309.591
Base-Backbone interact. energy: -0.200
local terms energy: -320.498588
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -72.156
flat angles C4'-P-C4' energy: -71.356
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: -75.178
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1057.360261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.360261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.760261 (E_RNA)
where:
Base-Base interactions energy: -646.055
where: short stacking energy: -260.224
Base-Backbone interact. energy: -0.749
local terms energy: -316.955921
where:
bonds (distance) C4'-P energy: -57.102
bonds (distance) P-C4' energy: -72.516
flat angles C4'-P-C4' energy: -63.392
flat angles P-C4'-P energy: -51.317
tors. eta vs tors. theta energy: -72.628
Dist. restrs. and SS energy: -93.600 (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: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1021.243670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.243670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.843670 (E_RNA)
where:
Base-Base interactions energy: -578.388
where: short stacking energy: -241.963
Base-Backbone interact. energy: -0.341
local terms energy: -311.114441
where:
bonds (distance) C4'-P energy: -70.396
bonds (distance) P-C4' energy: -72.661
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -47.174
tors. eta vs tors. theta energy: -55.933
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -971.322308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.322308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.722308 (E_RNA)
where:
Base-Base interactions energy: -563.970
where: short stacking energy: -215.077
Base-Backbone interact. energy: -1.735
local terms energy: -258.017342
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -42.890
Dist. restrs. and SS energy: -147.600 (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: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -834.475532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.475532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.275532 (E_RNA)
where:
Base-Base interactions energy: -487.240
where: short stacking energy: -199.205
Base-Backbone interact. energy: -0.120
local terms energy: -240.915795
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -46.023
Dist. restrs. and SS energy: -106.200 (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: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -765.201082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.201082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.001082 (E_RNA)
where:
Base-Base interactions energy: -400.372
where: short stacking energy: -173.211
Base-Backbone interact. energy: -1.480
local terms energy: -239.149082
where:
bonds (distance) C4'-P energy: -60.773
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -24.771
tors. eta vs tors. theta energy: -35.610
Dist. restrs. and SS energy: -124.200 (S_DIST_RNA)
chem. 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: -1391.676771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.676771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.276771 (E_RNA)
where:
Base-Base interactions energy: -841.857
where: short stacking energy: -326.263
Base-Backbone interact. energy: -1.762
local terms energy: -362.658299
where:
bonds (distance) C4'-P energy: -69.985
bonds (distance) P-C4' energy: -74.212
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: -87.044
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1308.547778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.547778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.347778 (E_RNA)
where:
Base-Base interactions energy: -784.460
where: short stacking energy: -327.722
Base-Backbone interact. energy: -2.600
local terms energy: -370.288671
where:
bonds (distance) C4'-P energy: -76.035
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -76.092
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -100.564
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1263.193609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.193609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.593609 (E_RNA)
where:
Base-Base interactions energy: -766.368
where: short stacking energy: -324.609
Base-Backbone interact. energy: -2.567
local terms energy: -337.659031
where:
bonds (distance) C4'-P energy: -66.888
bonds (distance) P-C4' energy: -65.342
flat angles C4'-P-C4' energy: -73.976
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -82.171
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1116.870078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.870078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.670078 (E_RNA)
where:
Base-Base interactions energy: -674.968
where: short stacking energy: -287.049
Base-Backbone interact. energy: 0.204
local terms energy: -344.906100
where:
bonds (distance) C4'-P energy: -76.765
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -67.979
flat angles P-C4'-P energy: -50.075
tors. eta vs tors. theta energy: -79.039
Dist. restrs. and SS energy: -97.200 (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: 47
Temperature: 1.100000
Total energy: -1162.733990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.733990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.533990 (E_RNA)
where:
Base-Base interactions energy: -694.062
where: short stacking energy: -289.136
Base-Backbone interact. energy: -0.186
local terms energy: -335.285644
where:
bonds (distance) C4'-P energy: -63.619
bonds (distance) P-C4' energy: -70.123
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -80.428
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1035.143750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.143750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.543750 (E_RNA)
where:
Base-Base interactions energy: -643.278
where: short stacking energy: -269.596
Base-Backbone interact. energy: -0.659
local terms energy: -297.606438
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -63.405
flat angles C4'-P-C4' energy: -73.840
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -63.770
Dist. restrs. and SS energy: -93.600 (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: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1000.406994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.406994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.606994 (E_RNA)
where:
Base-Base interactions energy: -575.887
where: short stacking energy: -245.895
Base-Backbone interact. energy: -0.366
local terms energy: -287.354028
where:
bonds (distance) C4'-P energy: -59.475
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -69.194
flat angles P-C4'-P energy: -35.549
tors. eta vs tors. theta energy: -56.420
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1001.500587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.500587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.900587 (E_RNA)
where:
Base-Base interactions energy: -603.816
where: short stacking energy: -241.520
Base-Backbone interact. energy: -2.488
local terms energy: -229.596939
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -47.746
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -47.144
Dist. restrs. and SS energy: -165.600 (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: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -814.139611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.139611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.739611 (E_RNA)
where:
Base-Base interactions energy: -462.235
where: short stacking energy: -187.541
Base-Backbone interact. energy: -4.230
local terms energy: -243.274329
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -64.149
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -34.178
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -738.536751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.536751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.736751 (E_RNA)
where:
Base-Base interactions energy: -403.294
where: short stacking energy: -179.787
Base-Backbone interact. energy: -0.950
local terms energy: -215.492041
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1331.017347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.017347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.817347 (E_RNA)
where:
Base-Base interactions energy: -794.838
where: short stacking energy: -340.819
Base-Backbone interact. energy: 0.483
local terms energy: -385.462151
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -78.322
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -55.836
tors. eta vs tors. theta energy: -97.605
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1352.309070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.309070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.909070 (E_RNA)
where:
Base-Base interactions energy: -802.855
where: short stacking energy: -326.439
Base-Backbone interact. energy: -2.302
local terms energy: -361.752211
where:
bonds (distance) C4'-P energy: -72.457
bonds (distance) P-C4' energy: -72.215
flat angles C4'-P-C4' energy: -75.981
flat angles P-C4'-P energy: -42.849
tors. eta vs tors. theta energy: -98.251
Dist. restrs. and SS energy: -185.400 (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: 48
Temperature: 1.000000
Total energy: -1267.259881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.259881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.859881 (E_RNA)
where:
Base-Base interactions energy: -746.756
where: short stacking energy: -296.206
Base-Backbone interact. energy: -4.078
local terms energy: -358.026498
where:
bonds (distance) C4'-P energy: -72.294
bonds (distance) P-C4' energy: -77.235
flat angles C4'-P-C4' energy: -80.880
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -84.992
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1158.863434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.863434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.663434 (E_RNA)
where:
Base-Base interactions energy: -709.801
where: short stacking energy: -303.474
Base-Backbone interact. energy: -1.352
local terms energy: -350.510625
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -72.768
flat angles C4'-P-C4' energy: -76.630
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -88.917
Dist. restrs. and SS energy: -97.200 (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: 48
Temperature: 1.100000
Total energy: -1181.793730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.793730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.793730 (E_RNA)
where:
Base-Base interactions energy: -726.861
where: short stacking energy: -299.482
Base-Backbone interact. energy: -1.181
local terms energy: -327.751660
where:
bonds (distance) C4'-P energy: -64.042
bonds (distance) P-C4' energy: -65.421
flat angles C4'-P-C4' energy: -73.323
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -82.077
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1074.826772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.826772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.226772 (E_RNA)
where:
Base-Base interactions energy: -677.133
where: short stacking energy: -297.581
Base-Backbone interact. energy: -2.363
local terms energy: -301.731649
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -63.625
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -64.681
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1051.397447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.397447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.397447 (E_RNA)
where:
Base-Base interactions energy: -602.824
where: short stacking energy: -237.899
Base-Backbone interact. energy: -3.321
local terms energy: -283.252925
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -67.504
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -47.406
tors. eta vs tors. theta energy: -56.855
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -976.990505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.990505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.590505 (E_RNA)
where:
Base-Base interactions energy: -597.040
where: short stacking energy: -242.776
Base-Backbone interact. energy: -2.291
local terms energy: -246.259387
where:
bonds (distance) C4'-P energy: -62.772
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -32.202
tors. eta vs tors. theta energy: -46.612
Dist. restrs. and SS energy: -131.400 (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: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -845.308096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.308096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.308096 (E_RNA)
where:
Base-Base interactions energy: -483.180
where: short stacking energy: -216.535
Base-Backbone interact. energy: -0.961
local terms energy: -253.166817
where:
bonds (distance) C4'-P energy: -64.876
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -55.975
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -736.520773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.520773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.720773 (E_RNA)
where:
Base-Base interactions energy: -402.055
where: short stacking energy: -180.453
Base-Backbone interact. energy: -0.528
local terms energy: -215.137700
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -50.526
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1335.042808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.042808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.842808 (E_RNA)
where:
Base-Base interactions energy: -807.177
where: short stacking energy: -344.257
Base-Backbone interact. energy: -1.474
local terms energy: -375.192067
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -71.202
flat angles C4'-P-C4' energy: -88.147
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -95.168
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1343.679663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.679663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.479663 (E_RNA)
where:
Base-Base interactions energy: -800.640
where: short stacking energy: -308.634
Base-Backbone interact. energy: -2.644
local terms energy: -353.195343
where:
bonds (distance) C4'-P energy: -65.288
bonds (distance) P-C4' energy: -71.153
flat angles C4'-P-C4' energy: -74.747
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -93.660
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1269.804684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.804684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.804684 (E_RNA)
where:
Base-Base interactions energy: -751.535
where: short stacking energy: -279.112
Base-Backbone interact. energy: -3.106
local terms energy: -353.163542
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -84.082
flat angles C4'-P-C4' energy: -67.372
flat angles P-C4'-P energy: -44.082
tors. eta vs tors. theta energy: -82.263
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1153.218460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.218460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.818460 (E_RNA)
where:
Base-Base interactions energy: -690.192
where: short stacking energy: -315.774
Base-Backbone interact. energy: -1.205
local terms energy: -339.421520
where:
bonds (distance) C4'-P energy: -75.387
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -79.653
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -81.313
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1113.426275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.426275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.626275 (E_RNA)
where:
Base-Base interactions energy: -676.011
where: short stacking energy: -289.800
Base-Backbone interact. energy: -1.741
local terms energy: -334.874518
where:
bonds (distance) C4'-P energy: -70.686
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -74.266
flat angles P-C4'-P energy: -44.653
tors. eta vs tors. theta energy: -81.751
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1069.715849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.715849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.115849 (E_RNA)
where:
Base-Base interactions energy: -658.068
where: short stacking energy: -275.061
Base-Backbone interact. energy: -3.424
local terms energy: -314.624397
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -70.575
flat angles C4'-P-C4' energy: -70.758
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -62.485
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1029.419012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.419012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.619012 (E_RNA)
where:
Base-Base interactions energy: -580.682
where: short stacking energy: -221.023
Base-Backbone interact. energy: 0.910
local terms energy: -267.846486
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -60.318
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -52.083
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -963.650862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.650862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.050862 (E_RNA)
where:
Base-Base interactions energy: -562.742
where: short stacking energy: -241.602
Base-Backbone interact. energy: 2.827
local terms energy: -274.135654
where:
bonds (distance) C4'-P energy: -59.187
bonds (distance) P-C4' energy: -68.462
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -46.567
tors. eta vs tors. theta energy: -49.100
Dist. restrs. and SS energy: -129.600 (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: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -839.877502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.877502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.277502 (E_RNA)
where:
Base-Base interactions energy: -476.528
where: short stacking energy: -204.642
Base-Backbone interact. energy: 6.694
local terms energy: -267.443861
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -37.612
Dist. restrs. and SS energy: -102.600 (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: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -725.949309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.949309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.349309 (E_RNA)
where:
Base-Base interactions energy: -398.997
where: short stacking energy: -163.337
Base-Backbone interact. energy: 1.147
local terms energy: -207.499099
where:
bonds (distance) C4'-P energy: -47.214
bonds (distance) P-C4' energy: -57.793
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -40.659
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1380.973530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.973530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.773530 (E_RNA)
where:
Base-Base interactions energy: -821.300
where: short stacking energy: -347.418
Base-Backbone interact. energy: -4.620
local terms energy: -367.853531
where:
bonds (distance) C4'-P energy: -61.568
bonds (distance) P-C4' energy: -81.533
flat angles C4'-P-C4' energy: -81.670
flat angles P-C4'-P energy: -47.719
tors. eta vs tors. theta energy: -95.363
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1322.247591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.247591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.047591 (E_RNA)
where:
Base-Base interactions energy: -812.619
where: short stacking energy: -333.167
Base-Backbone interact. energy: 2.954
local terms energy: -361.381745
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -81.260
flat angles P-C4'-P energy: -56.061
tors. eta vs tors. theta energy: -89.471
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1285.886613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.886613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.886613 (E_RNA)
where:
Base-Base interactions energy: -779.900
where: short stacking energy: -320.940
Base-Backbone interact. energy: 2.596
local terms energy: -346.583190
where:
bonds (distance) C4'-P energy: -77.694
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -81.350
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -87.959
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1159.139723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.139723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.139723 (E_RNA)
where:
Base-Base interactions energy: -698.333
where: short stacking energy: -297.428
Base-Backbone interact. energy: -2.433
local terms energy: -341.374449
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -68.732
flat angles C4'-P-C4' energy: -72.879
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -85.019
Dist. restrs. and SS energy: -117.000 (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: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1136.564609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.564609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.564609 (E_RNA)
where:
Base-Base interactions energy: -718.212
where: short stacking energy: -311.038
Base-Backbone interact. energy: -2.473
local terms energy: -316.879471
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -78.172
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -74.359
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1049.026814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.026814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.026814 (E_RNA)
where:
Base-Base interactions energy: -653.705
where: short stacking energy: -281.074
Base-Backbone interact. energy: -1.934
local terms energy: -303.387447
where:
bonds (distance) C4'-P energy: -63.782
bonds (distance) P-C4' energy: -68.186
flat angles C4'-P-C4' energy: -58.628
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -71.494
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1100.026998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.026998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.226998 (E_RNA)
where:
Base-Base interactions energy: -622.497
where: short stacking energy: -255.800
Base-Backbone interact. energy: -1.091
local terms energy: -285.638528
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -57.358
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -987.271901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.271901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.271901 (E_RNA)
where:
Base-Base interactions energy: -580.431
where: short stacking energy: -247.318
Base-Backbone interact. energy: -0.823
local terms energy: -280.017436
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -66.306
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -57.225
Dist. restrs. and SS energy: -126.000 (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: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -832.957292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.957292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.957292 (E_RNA)
where:
Base-Base interactions energy: -476.920
where: short stacking energy: -203.050
Base-Backbone interact. energy: -0.399
local terms energy: -247.638238
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -63.063
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -35.815
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -724.353556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.353556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.553556 (E_RNA)
where:
Base-Base interactions energy: -375.505
where: short stacking energy: -149.265
Base-Backbone interact. energy: 1.678
local terms energy: -231.726082
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -28.511
Dist. restrs. and SS energy: -118.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1417.207642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.207642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.007642 (E_RNA)
where:
Base-Base interactions energy: -851.334
where: short stacking energy: -335.366
Base-Backbone interact. energy: -0.241
local terms energy: -378.432439
where:
bonds (distance) C4'-P energy: -80.112
bonds (distance) P-C4' energy: -76.492
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -48.762
tors. eta vs tors. theta energy: -94.913
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1300.602515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.602515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.402515 (E_RNA)
where:
Base-Base interactions energy: -785.853
where: short stacking energy: -339.082
Base-Backbone interact. energy: -2.906
local terms energy: -360.643901
where:
bonds (distance) C4'-P energy: -72.782
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -76.465
flat angles P-C4'-P energy: -54.444
tors. eta vs tors. theta energy: -95.474
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1281.036057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.036057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.836057 (E_RNA)
where:
Base-Base interactions energy: -765.344
where: short stacking energy: -289.260
Base-Backbone interact. energy: -3.647
local terms energy: -351.845313
where:
bonds (distance) C4'-P energy: -76.357
bonds (distance) P-C4' energy: -65.876
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -56.567
tors. eta vs tors. theta energy: -74.628
Dist. restrs. and SS energy: -160.200 (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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1156.163384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.163384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.163384 (E_RNA)
where:
Base-Base interactions energy: -731.485
where: short stacking energy: -296.719
Base-Backbone interact. energy: -0.179
local terms energy: -325.498952
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -68.698
flat angles C4'-P-C4' energy: -71.780
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -75.854
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1148.149397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.149397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.949397 (E_RNA)
where:
Base-Base interactions energy: -699.060
where: short stacking energy: -304.732
Base-Backbone interact. energy: -3.791
local terms energy: -330.097838
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -76.370
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1107.558455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.558455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.158455 (E_RNA)
where:
Base-Base interactions energy: -616.165
where: short stacking energy: -261.482
Base-Backbone interact. energy: 0.082
local terms energy: -306.074959
where:
bonds (distance) C4'-P energy: -61.649
bonds (distance) P-C4' energy: -61.919
flat angles C4'-P-C4' energy: -74.895
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -66.107
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -998.573128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.573128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.973128 (E_RNA)
where:
Base-Base interactions energy: -599.727
where: short stacking energy: -243.431
Base-Backbone interact. energy: -1.159
local terms energy: -304.087422
where:
bonds (distance) C4'-P energy: -56.900
bonds (distance) P-C4' energy: -72.636
flat angles C4'-P-C4' energy: -69.188
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -64.458
Dist. restrs. and SS energy: -93.600 (S_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: 51
Temperature: 1.250000
Total energy: -992.302826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.302826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.502826 (E_RNA)
where:
Base-Base interactions energy: -576.426
where: short stacking energy: -248.756
Base-Backbone interact. energy: -1.438
local terms energy: -286.638485
where:
bonds (distance) C4'-P energy: -62.310
bonds (distance) P-C4' energy: -67.770
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -56.869
Dist. restrs. and SS energy: -127.800 (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: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -796.906136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.906136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.106136 (E_RNA)
where:
Base-Base interactions energy: -449.993
where: short stacking energy: -177.824
Base-Backbone interact. energy: -1.458
local terms energy: -244.654805
where:
bonds (distance) C4'-P energy: -66.878
bonds (distance) P-C4' energy: -58.046
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -706.006964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.006964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.206964 (E_RNA)
where:
Base-Base interactions energy: -377.592
where: short stacking energy: -144.676
Base-Backbone interact. energy: -4.504
local terms energy: -214.110593
where:
bonds (distance) C4'-P energy: -60.355
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -56.216
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1389.788600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.788600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.588600 (E_RNA)
where:
Base-Base interactions energy: -825.525
where: short stacking energy: -332.000
Base-Backbone interact. energy: 0.239
local terms energy: -377.303463
where:
bonds (distance) C4'-P energy: -73.069
bonds (distance) P-C4' energy: -76.236
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -56.667
tors. eta vs tors. theta energy: -95.877
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1285.581397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.581397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.981397 (E_RNA)
where:
Base-Base interactions energy: -775.117
where: short stacking energy: -324.279
Base-Backbone interact. energy: -2.344
local terms energy: -360.520123
where:
bonds (distance) C4'-P energy: -77.822
bonds (distance) P-C4' energy: -60.572
flat angles C4'-P-C4' energy: -77.376
flat angles P-C4'-P energy: -55.071
tors. eta vs tors. theta energy: -89.679
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1292.489891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.489891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.089891 (E_RNA)
where:
Base-Base interactions energy: -780.235
where: short stacking energy: -323.600
Base-Backbone interact. energy: -0.161
local terms energy: -353.694334
where:
bonds (distance) C4'-P energy: -63.875
bonds (distance) P-C4' energy: -74.968
flat angles C4'-P-C4' energy: -77.250
flat angles P-C4'-P energy: -53.020
tors. eta vs tors. theta energy: -84.582
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1155.239084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.239084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.439084 (E_RNA)
where:
Base-Base interactions energy: -703.163
where: short stacking energy: -289.584
Base-Backbone interact. energy: -0.332
local terms energy: -350.944356
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -76.077
flat angles C4'-P-C4' energy: -80.917
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -85.001
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1155.621491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.621491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.621491 (E_RNA)
where:
Base-Base interactions energy: -714.324
where: short stacking energy: -305.609
Base-Backbone interact. energy: -1.218
local terms energy: -314.079514
where:
bonds (distance) C4'-P energy: -57.574
bonds (distance) P-C4' energy: -64.243
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -76.996
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1072.805110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.805110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.205110 (E_RNA)
where:
Base-Base interactions energy: -584.981
where: short stacking energy: -238.505
Base-Backbone interact. energy: -0.661
local terms energy: -303.562769
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -75.298
flat angles C4'-P-C4' energy: -67.012
flat angles P-C4'-P energy: -42.056
tors. eta vs tors. theta energy: -52.067
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -967.999294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.999294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.999294 (E_RNA)
where:
Base-Base interactions energy: -580.075
where: short stacking energy: -253.606
Base-Backbone interact. energy: -1.385
local terms energy: -296.539595
where:
bonds (distance) C4'-P energy: -55.433
bonds (distance) P-C4' energy: -66.140
flat angles C4'-P-C4' energy: -71.263
flat angles P-C4'-P energy: -49.046
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -965.679721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.679721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.679721 (E_RNA)
where:
Base-Base interactions energy: -551.113
where: short stacking energy: -235.204
Base-Backbone interact. energy: -1.300
local terms energy: -278.266715
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -69.769
flat angles P-C4'-P energy: -46.168
tors. eta vs tors. theta energy: -55.650
Dist. restrs. and SS energy: -135.000 (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: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -858.125886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.125886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.325886 (E_RNA)
where:
Base-Base interactions energy: -497.976
where: short stacking energy: -204.859
Base-Backbone interact. energy: -0.105
local terms energy: -259.245271
where:
bonds (distance) C4'-P energy: -58.645
bonds (distance) P-C4' energy: -63.678
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -48.968
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -687.746050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.546050 (E_RNA)
where:
Base-Base interactions energy: -367.612
where: short stacking energy: -156.185
Base-Backbone interact. energy: 0.539
local terms energy: -205.472707
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -55.742
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. 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: -1410.011097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.011097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.011097 (E_RNA)
where:
Base-Base interactions energy: -842.433
where: short stacking energy: -356.053
Base-Backbone interact. energy: 1.888
local terms energy: -389.465400
where:
bonds (distance) C4'-P energy: -73.867
bonds (distance) P-C4' energy: -80.208
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -54.745
tors. eta vs tors. theta energy: -99.398
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1293.773874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.773874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.573874 (E_RNA)
where:
Base-Base interactions energy: -774.481
where: short stacking energy: -328.766
Base-Backbone interact. energy: 3.196
local terms energy: -371.288518
where:
bonds (distance) C4'-P energy: -72.511
bonds (distance) P-C4' energy: -69.263
flat angles C4'-P-C4' energy: -82.766
flat angles P-C4'-P energy: -49.992
tors. eta vs tors. theta energy: -96.756
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1281.441359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.441359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.041359 (E_RNA)
where:
Base-Base interactions energy: -775.427
where: short stacking energy: -303.230
Base-Backbone interact. energy: -3.048
local terms energy: -344.566430
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -66.522
flat angles C4'-P-C4' energy: -68.269
flat angles P-C4'-P energy: -47.164
tors. eta vs tors. theta energy: -84.331
Dist. restrs. and SS energy: -158.400 (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: 53
Temperature: 1.050000
Total energy: -1193.904709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.904709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.504709 (E_RNA)
where:
Base-Base interactions energy: -737.401
where: short stacking energy: -291.273
Base-Backbone interact. energy: -3.124
local terms energy: -330.979404
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -71.256
flat angles C4'-P-C4' energy: -79.898
flat angles P-C4'-P energy: -46.905
tors. eta vs tors. theta energy: -77.772
Dist. restrs. and SS energy: -122.400 (S_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: 53
Temperature: 1.100000
Total energy: -1126.773468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.773468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.773468 (E_RNA)
where:
Base-Base interactions energy: -708.713
where: short stacking energy: -306.318
Base-Backbone interact. energy: -0.795
local terms energy: -318.266139
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -76.879
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -83.176
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1136.908406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.908406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.108406 (E_RNA)
where:
Base-Base interactions energy: -629.167
where: short stacking energy: -269.273
Base-Backbone interact. energy: -0.428
local terms energy: -316.513444
where:
bonds (distance) C4'-P energy: -73.173
bonds (distance) P-C4' energy: -66.145
flat angles C4'-P-C4' energy: -56.605
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -72.371
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -956.704474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.704474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.904474 (E_RNA)
where:
Base-Base interactions energy: -576.574
where: short stacking energy: -254.994
Base-Backbone interact. energy: -1.509
local terms energy: -286.821557
where:
bonds (distance) C4'-P energy: -59.889
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -62.362
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -926.889444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.889444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.489444 (E_RNA)
where:
Base-Base interactions energy: -515.265
where: short stacking energy: -198.847
Base-Backbone interact. energy: -0.733
local terms energy: -279.491380
where:
bonds (distance) C4'-P energy: -58.914
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: -45.756
Dist. restrs. and SS energy: -131.400 (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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -846.390101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.390101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.190101 (E_RNA)
where:
Base-Base interactions energy: -481.205
where: short stacking energy: -204.635
Base-Backbone interact. energy: -2.154
local terms energy: -256.831063
where:
bonds (distance) C4'-P energy: -61.001
bonds (distance) P-C4' energy: -70.070
flat angles C4'-P-C4' energy: -61.542
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -40.041
Dist. restrs. and SS energy: -106.200 (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: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -714.613908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.613908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.213908 (E_RNA)
where:
Base-Base interactions energy: -386.942
where: short stacking energy: -163.778
Base-Backbone interact. energy: -0.659
local terms energy: -213.612513
where:
bonds (distance) C4'-P energy: -56.217
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -12.518
Dist. restrs. and SS energy: -113.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1407.164232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.164232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.964232 (E_RNA)
where:
Base-Base interactions energy: -837.473
where: short stacking energy: -338.115
Base-Backbone interact. energy: -1.931
local terms energy: -380.559648
where:
bonds (distance) C4'-P energy: -75.410
bonds (distance) P-C4' energy: -76.257
flat angles C4'-P-C4' energy: -80.985
flat angles P-C4'-P energy: -54.948
tors. eta vs tors. theta energy: -92.960
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1301.460959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.460959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.260959 (E_RNA)
where:
Base-Base interactions energy: -771.683
where: short stacking energy: -318.823
Base-Backbone interact. energy: -3.279
local terms energy: -375.299261
where:
bonds (distance) C4'-P energy: -70.418
bonds (distance) P-C4' energy: -81.092
flat angles C4'-P-C4' energy: -81.999
flat angles P-C4'-P energy: -52.606
tors. eta vs tors. theta energy: -89.184
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1302.734660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.734660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.934660 (E_RNA)
where:
Base-Base interactions energy: -787.200
where: short stacking energy: -328.354
Base-Backbone interact. energy: 0.711
local terms energy: -361.445972
where:
bonds (distance) C4'-P energy: -73.577
bonds (distance) P-C4' energy: -69.951
flat angles C4'-P-C4' energy: -77.352
flat angles P-C4'-P energy: -47.766
tors. eta vs tors. theta energy: -92.799
Dist. restrs. and SS energy: -154.800 (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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1185.131957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.131957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.931957 (E_RNA)
where:
Base-Base interactions energy: -714.987
where: short stacking energy: -310.344
Base-Backbone interact. energy: -2.954
local terms energy: -342.991324
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -76.296
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -39.817
tors. eta vs tors. theta energy: -89.491
Dist. restrs. and SS energy: -124.200 (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: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1192.734241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.734241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.534241 (E_RNA)
where:
Base-Base interactions energy: -682.957
where: short stacking energy: -286.791
Base-Backbone interact. energy: -1.236
local terms energy: -321.341287
where:
bonds (distance) C4'-P energy: -65.909
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -70.909
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -77.606
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1082.071193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.071193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.271193 (E_RNA)
where:
Base-Base interactions energy: -680.879
where: short stacking energy: -283.234
Base-Backbone interact. energy: -1.509
local terms energy: -298.883128
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -74.866
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1007.295872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.295872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.895872 (E_RNA)
where:
Base-Base interactions energy: -612.588
where: short stacking energy: -262.207
Base-Backbone interact. energy: -3.113
local terms energy: -296.194119
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -68.340
flat angles C4'-P-C4' energy: -60.829
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -58.588
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -960.727729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.727729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.727729 (E_RNA)
where:
Base-Base interactions energy: -565.367
where: short stacking energy: -229.516
Base-Backbone interact. energy: -2.372
local terms energy: -257.988525
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: -135.000 (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: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -839.774662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.774662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.174662 (E_RNA)
where:
Base-Base interactions energy: -477.883
where: short stacking energy: -191.040
Base-Backbone interact. energy: 0.559
local terms energy: -259.850884
where:
bonds (distance) C4'-P energy: -55.666
bonds (distance) P-C4' energy: -71.304
flat angles C4'-P-C4' energy: -61.887
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -36.775
Dist. restrs. and SS energy: -102.600 (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: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -757.620396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.620396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.020396 (E_RNA)
where:
Base-Base interactions energy: -408.832
where: short stacking energy: -174.889
Base-Backbone interact. energy: -1.515
local terms energy: -226.673515
where:
bonds (distance) C4'-P energy: -70.317
bonds (distance) P-C4' energy: -56.924
flat angles C4'-P-C4' energy: -50.637
flat angles P-C4'-P energy: -31.896
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: -120.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1389.594691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.594691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.194691 (E_RNA)
where:
Base-Base interactions energy: -844.008
where: short stacking energy: -326.442
Base-Backbone interact. energy: -2.421
local terms energy: -357.765828
where:
bonds (distance) C4'-P energy: -66.801
bonds (distance) P-C4' energy: -70.468
flat angles C4'-P-C4' energy: -78.153
flat angles P-C4'-P energy: -58.450
tors. eta vs tors. theta energy: -83.895
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1310.709940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.709940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.309940 (E_RNA)
where:
Base-Base interactions energy: -782.781
where: short stacking energy: -345.502
Base-Backbone interact. energy: -2.232
local terms energy: -376.297441
where:
bonds (distance) C4'-P energy: -74.099
bonds (distance) P-C4' energy: -70.410
flat angles C4'-P-C4' energy: -73.844
flat angles P-C4'-P energy: -57.591
tors. eta vs tors. theta energy: -100.353
Dist. restrs. and SS energy: -149.400 (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: 55
Temperature: 1.000000
Total energy: -1277.931805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.931805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.731805 (E_RNA)
where:
Base-Base interactions energy: -784.028
where: short stacking energy: -330.414
Base-Backbone interact. energy: 1.170
local terms energy: -334.873228
where:
bonds (distance) C4'-P energy: -71.656
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -71.605
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -79.228
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1246.718194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.718194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.518194 (E_RNA)
where:
Base-Base interactions energy: -710.895
where: short stacking energy: -294.395
Base-Backbone interact. energy: -0.440
local terms energy: -339.183787
where:
bonds (distance) C4'-P energy: -79.537
bonds (distance) P-C4' energy: -72.345
flat angles C4'-P-C4' energy: -65.808
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -74.668
Dist. restrs. and SS energy: -196.200 (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: 55
Temperature: 1.100000
Total energy: -1188.364068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.364068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.764068 (E_RNA)
where:
Base-Base interactions energy: -736.257
where: short stacking energy: -314.993
Base-Backbone interact. energy: 1.099
local terms energy: -332.606537
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -61.796
flat angles C4'-P-C4' energy: -75.856
flat angles P-C4'-P energy: -51.024
tors. eta vs tors. theta energy: -89.158
Dist. restrs. and SS energy: -120.600 (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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1088.946962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.946962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.946962 (E_RNA)
where:
Base-Base interactions energy: -675.979
where: short stacking energy: -277.090
Base-Backbone interact. energy: -0.822
local terms energy: -313.145953
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -63.429
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -69.532
Dist. restrs. and SS energy: -99.000 (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: 55
Temperature: 1.200000
Total energy: -986.955869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.955869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.355869 (E_RNA)
where:
Base-Base interactions energy: -609.897
where: short stacking energy: -264.167
Base-Backbone interact. energy: 1.137
local terms energy: -284.595486
where:
bonds (distance) C4'-P energy: -60.305
bonds (distance) P-C4' energy: -64.017
flat angles C4'-P-C4' energy: -68.403
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -65.439
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -957.800396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.800396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.800396 (E_RNA)
where:
Base-Base interactions energy: -548.825
where: short stacking energy: -238.169
Base-Backbone interact. energy: -2.687
local terms energy: -271.288073
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -55.796
Dist. restrs. and SS energy: -135.000 (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: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -807.272313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.272313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.672313 (E_RNA)
where:
Base-Base interactions energy: -480.238
where: short stacking energy: -205.199
Base-Backbone interact. energy: -0.887
local terms energy: -223.547370
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -60.335
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -35.512
Dist. restrs. and SS energy: -102.600 (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: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -788.188789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.188789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.788789 (E_RNA)
where:
Base-Base interactions energy: -430.865
where: short stacking energy: -189.611
Base-Backbone interact. energy: 0.269
local terms energy: -226.192246
where:
bonds (distance) C4'-P energy: -59.148
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -31.923
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1344.707321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.707321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.307321 (E_RNA)
where:
Base-Base interactions energy: -816.128
where: short stacking energy: -347.460
Base-Backbone interact. energy: -2.071
local terms energy: -377.108242
where:
bonds (distance) C4'-P energy: -77.430
bonds (distance) P-C4' energy: -68.547
flat angles C4'-P-C4' energy: -82.669
flat angles P-C4'-P energy: -47.138
tors. eta vs tors. theta energy: -101.325
Dist. restrs. and SS energy: -149.400 (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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1363.923227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.923227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.323227 (E_RNA)
where:
Base-Base interactions energy: -816.598
where: short stacking energy: -339.182
Base-Backbone interact. energy: 1.196
local terms energy: -364.921921
where:
bonds (distance) C4'-P energy: -72.546
bonds (distance) P-C4' energy: -71.868
flat angles C4'-P-C4' energy: -81.982
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -81.715
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1284.003873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.003873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.603873 (E_RNA)
where:
Base-Base interactions energy: -790.892
where: short stacking energy: -335.020
Base-Backbone interact. energy: 0.934
local terms energy: -335.645093
where:
bonds (distance) C4'-P energy: -64.003
bonds (distance) P-C4' energy: -65.043
flat angles C4'-P-C4' energy: -68.500
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -87.372
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1259.458800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.458800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.058800 (E_RNA)
where:
Base-Base interactions energy: -748.016
where: short stacking energy: -294.081
Base-Backbone interact. energy: 1.305
local terms energy: -318.347332
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -70.468
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -71.679
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1186.551813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.551813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.951813 (E_RNA)
where:
Base-Base interactions energy: -738.466
where: short stacking energy: -301.703
Base-Backbone interact. energy: -1.529
local terms energy: -325.956801
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -78.969
flat angles P-C4'-P energy: -53.539
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: -120.600 (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: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1109.359066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.359066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.359066 (E_RNA)
where:
Base-Base interactions energy: -683.201
where: short stacking energy: -314.068
Base-Backbone interact. energy: -2.883
local terms energy: -324.274444
where:
bonds (distance) C4'-P energy: -53.839
bonds (distance) P-C4' energy: -67.737
flat angles C4'-P-C4' energy: -68.831
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -89.277
Dist. restrs. and SS energy: -99.000 (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: 56
Temperature: 1.200000
Total energy: -987.017340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.017340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.417340 (E_RNA)
where:
Base-Base interactions energy: -595.356
where: short stacking energy: -261.138
Base-Backbone interact. energy: -0.739
local terms energy: -297.322541
where:
bonds (distance) C4'-P energy: -71.513
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -52.664
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -902.002479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.002479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.202479 (E_RNA)
where:
Base-Base interactions energy: -520.813
where: short stacking energy: -217.632
Base-Backbone interact. energy: -1.164
local terms energy: -243.225549
where:
bonds (distance) C4'-P energy: -45.111
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -33.906
Dist. restrs. and SS energy: -136.800 (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: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -864.871835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.871835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.871835 (E_RNA)
where:
Base-Base interactions energy: -471.576
where: short stacking energy: -202.938
Base-Backbone interact. energy: -1.288
local terms energy: -239.007408
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -61.801
flat angles C4'-P-C4' energy: -60.432
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: -153.000 (S_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: 56
Temperature: 1.350000
Total energy: -803.183462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.983462 (E_RNA)
where:
Base-Base interactions energy: -441.364
where: short stacking energy: -187.457
Base-Backbone interact. energy: -0.400
local terms energy: -255.219544
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -64.005
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -35.251
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1349.984394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.984394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.784394 (E_RNA)
where:
Base-Base interactions energy: -821.240
where: short stacking energy: -368.212
Base-Backbone interact. energy: -3.547
local terms energy: -373.997630
where:
bonds (distance) C4'-P energy: -70.283
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -80.344
flat angles P-C4'-P energy: -52.387
tors. eta vs tors. theta energy: -101.855
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1370.171088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.171088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.971088 (E_RNA)
where:
Base-Base interactions energy: -814.651
where: short stacking energy: -330.387
Base-Backbone interact. energy: -2.441
local terms energy: -365.878955
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -70.715
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -57.606
tors. eta vs tors. theta energy: -91.737
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1302.280320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.280320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.080320 (E_RNA)
where:
Base-Base interactions energy: -770.106
where: short stacking energy: -312.090
Base-Backbone interact. energy: -2.056
local terms energy: -369.918735
where:
bonds (distance) C4'-P energy: -77.397
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -75.427
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -89.536
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1224.864757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.864757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.664757 (E_RNA)
where:
Base-Base interactions energy: -712.848
where: short stacking energy: -284.105
Base-Backbone interact. energy: -1.134
local terms energy: -314.682672
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -67.352
flat angles C4'-P-C4' energy: -76.589
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -61.355
Dist. restrs. and SS energy: -196.200 (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: 57
Temperature: 1.100000
Total energy: -1147.002665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.002665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.802665 (E_RNA)
where:
Base-Base interactions energy: -693.118
where: short stacking energy: -304.608
Base-Backbone interact. energy: -0.726
local terms energy: -328.959125
where:
bonds (distance) C4'-P energy: -69.461
bonds (distance) P-C4' energy: -70.121
flat angles C4'-P-C4' energy: -72.318
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -73.442
Dist. restrs. and SS energy: -124.200 (S_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: 57
Temperature: 1.150000
Total energy: -1093.964668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.964668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.764668 (E_RNA)
where:
Base-Base interactions energy: -674.670
where: short stacking energy: -298.346
Base-Backbone interact. energy: -2.524
local terms energy: -310.570766
where:
bonds (distance) C4'-P energy: -55.540
bonds (distance) P-C4' energy: -65.902
flat angles C4'-P-C4' energy: -68.248
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -81.516
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1025.563036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.563036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.363036 (E_RNA)
where:
Base-Base interactions energy: -609.628
where: short stacking energy: -288.821
Base-Backbone interact. energy: -0.190
local terms energy: -327.544864
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -68.603
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -68.951
Dist. restrs. and SS energy: -88.200 (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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -882.294769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.294769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.094769 (E_RNA)
where:
Base-Base interactions energy: -488.621
where: short stacking energy: -207.668
Base-Backbone interact. energy: -0.605
local terms energy: -250.868679
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -66.917
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -41.942
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -895.896962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.896962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.696962 (E_RNA)
where:
Base-Base interactions energy: -492.738
where: short stacking energy: -206.736
Base-Backbone interact. energy: 1.720
local terms energy: -271.678933
where:
bonds (distance) C4'-P energy: -66.168
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -66.417
flat angles P-C4'-P energy: -41.713
tors. eta vs tors. theta energy: -36.323
Dist. restrs. and SS energy: -133.200 (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: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -801.628895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.628895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.628895 (E_RNA)
where:
Base-Base interactions energy: -449.338
where: short stacking energy: -169.498
Base-Backbone interact. energy: 3.071
local terms energy: -247.361300
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1395.492419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.492419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.092419 (E_RNA)
where:
Base-Base interactions energy: -842.549
where: short stacking energy: -347.642
Base-Backbone interact. energy: 0.598
local terms energy: -368.141819
where:
bonds (distance) C4'-P energy: -70.606
bonds (distance) P-C4' energy: -68.744
flat angles C4'-P-C4' energy: -81.228
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -95.641
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1318.901600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.901600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.301600 (E_RNA)
where:
Base-Base interactions energy: -793.604
where: short stacking energy: -333.560
Base-Backbone interact. energy: 1.521
local terms energy: -379.218755
where:
bonds (distance) C4'-P energy: -74.705
bonds (distance) P-C4' energy: -73.128
flat angles C4'-P-C4' energy: -82.651
flat angles P-C4'-P energy: -50.068
tors. eta vs tors. theta energy: -98.667
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1302.802851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.802851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.402851 (E_RNA)
where:
Base-Base interactions energy: -799.422
where: short stacking energy: -315.719
Base-Backbone interact. energy: -1.004
local terms energy: -343.977090
where:
bonds (distance) C4'-P energy: -70.408
bonds (distance) P-C4' energy: -78.094
flat angles C4'-P-C4' energy: -66.381
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -80.846
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1277.636829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.636829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.636829 (E_RNA)
where:
Base-Base interactions energy: -755.143
where: short stacking energy: -328.193
Base-Backbone interact. energy: -1.456
local terms energy: -323.038685
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -82.601
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1179.002897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.002897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.402897 (E_RNA)
where:
Base-Base interactions energy: -738.937
where: short stacking energy: -298.918
Base-Backbone interact. energy: -1.335
local terms energy: -327.130321
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -65.064
flat angles C4'-P-C4' energy: -82.838
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -78.095
Dist. restrs. and SS energy: -111.600 (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: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1058.805468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.805468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.805468 (E_RNA)
where:
Base-Base interactions energy: -631.631
where: short stacking energy: -262.019
Base-Backbone interact. energy: -1.463
local terms energy: -317.711181
where:
bonds (distance) C4'-P energy: -60.128
bonds (distance) P-C4' energy: -69.749
flat angles C4'-P-C4' energy: -68.561
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -73.577
Dist. restrs. and SS energy: -108.000 (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: 58
Temperature: 1.200000
Total energy: -974.948829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.948829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.748829 (E_RNA)
where:
Base-Base interactions energy: -590.539
where: short stacking energy: -250.990
Base-Backbone interact. energy: -2.476
local terms energy: -293.733838
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -73.734
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -56.880
Dist. restrs. and SS energy: -88.200 (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: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -943.916932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.916932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.116932 (E_RNA)
where:
Base-Base interactions energy: -508.146
where: short stacking energy: -213.237
Base-Backbone interact. energy: -1.231
local terms energy: -279.740537
where:
bonds (distance) C4'-P energy: -56.710
bonds (distance) P-C4' energy: -65.944
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -55.392
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -882.658331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.658331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.058331 (E_RNA)
where:
Base-Base interactions energy: -484.264
where: short stacking energy: -222.363
Base-Backbone interact. energy: -1.151
local terms energy: -267.643940
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -51.500
flat angles C4'-P-C4' energy: -74.453
flat angles P-C4'-P energy: -33.358
tors. eta vs tors. theta energy: -48.530
Dist. restrs. and SS energy: -129.600 (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: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -835.076258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.076258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.476258 (E_RNA)
where:
Base-Base interactions energy: -478.264
where: short stacking energy: -202.681
Base-Backbone interact. energy: 1.440
local terms energy: -246.652206
where:
bonds (distance) C4'-P energy: -58.834
bonds (distance) P-C4' energy: -47.950
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -51.672
Dist. restrs. and SS energy: -111.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1416.857165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.857165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.457165 (E_RNA)
where:
Base-Base interactions energy: -843.040
where: short stacking energy: -337.239
Base-Backbone interact. energy: 0.295
local terms energy: -388.712430
where:
bonds (distance) C4'-P energy: -73.520
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -80.297
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -96.402
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1301.014392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.014392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.614392 (E_RNA)
where:
Base-Base interactions energy: -763.091
where: short stacking energy: -337.264
Base-Backbone interact. energy: -3.604
local terms energy: -384.919706
where:
bonds (distance) C4'-P energy: -73.815
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -88.416
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -94.406
Dist. restrs. and SS energy: -149.400 (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: 59
Temperature: 1.000000
Total energy: -1288.794376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.794376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.594376 (E_RNA)
where:
Base-Base interactions energy: -780.255
where: short stacking energy: -303.360
Base-Backbone interact. energy: -1.259
local terms energy: -347.080557
where:
bonds (distance) C4'-P energy: -77.234
bonds (distance) P-C4' energy: -72.376
flat angles C4'-P-C4' energy: -80.049
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -78.965
Dist. restrs. and SS energy: -160.200 (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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1257.988399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.988399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.588399 (E_RNA)
where:
Base-Base interactions energy: -744.268
where: short stacking energy: -317.334
Base-Backbone interact. energy: -3.172
local terms energy: -316.148835
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -73.760
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -78.548
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1153.882679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.882679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.882679 (E_RNA)
where:
Base-Base interactions energy: -688.845
where: short stacking energy: -286.126
Base-Backbone interact. energy: 0.858
local terms energy: -339.896300
where:
bonds (distance) C4'-P energy: -78.310
bonds (distance) P-C4' energy: -69.745
flat angles C4'-P-C4' energy: -68.609
flat angles P-C4'-P energy: -52.269
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1119.701186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.701186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.301186 (E_RNA)
where:
Base-Base interactions energy: -698.374
where: short stacking energy: -306.302
Base-Backbone interact. energy: 0.472
local terms energy: -317.399513
where:
bonds (distance) C4'-P energy: -54.995
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -75.857
flat angles P-C4'-P energy: -50.416
tors. eta vs tors. theta energy: -88.835
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -972.314480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.314480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.714480 (E_RNA)
where:
Base-Base interactions energy: -577.019
where: short stacking energy: -253.477
Base-Backbone interact. energy: -0.222
local terms energy: -301.472636
where:
bonds (distance) C4'-P energy: -47.966
bonds (distance) P-C4' energy: -69.086
flat angles C4'-P-C4' energy: -74.539
flat angles P-C4'-P energy: -45.695
tors. eta vs tors. theta energy: -64.186
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -914.826451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.826451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.226451 (E_RNA)
where:
Base-Base interactions energy: -491.490
where: short stacking energy: -200.676
Base-Backbone interact. energy: -1.729
local terms energy: -274.008179
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -68.963
flat angles C4'-P-C4' energy: -64.413
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -51.014
Dist. restrs. and SS energy: -147.600 (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: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -880.692511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.692511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.292511 (E_RNA)
where:
Base-Base interactions energy: -476.402
where: short stacking energy: -192.923
Base-Backbone interact. energy: -2.370
local terms energy: -279.520625
where:
bonds (distance) C4'-P energy: -62.549
bonds (distance) P-C4' energy: -67.850
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -46.470
Dist. restrs. and SS energy: -122.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -798.018070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.018070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.018070 (E_RNA)
where:
Base-Base interactions energy: -464.028
where: short stacking energy: -187.191
Base-Backbone interact. energy: 1.384
local terms energy: -236.374058
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1399.512983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.512983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.312983 (E_RNA)
where:
Base-Base interactions energy: -840.647
where: short stacking energy: -333.058
Base-Backbone interact. energy: -3.417
local terms energy: -368.248805
where:
bonds (distance) C4'-P energy: -79.142
bonds (distance) P-C4' energy: -65.451
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -54.876
tors. eta vs tors. theta energy: -86.940
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1319.633983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.633983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.833983 (E_RNA)
where:
Base-Base interactions energy: -775.042
where: short stacking energy: -321.555
Base-Backbone interact. energy: -1.294
local terms energy: -397.498035
where:
bonds (distance) C4'-P energy: -83.046
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -86.188
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -93.894
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. 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: -1281.856672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.856672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.456672 (E_RNA)
where:
Base-Base interactions energy: -791.012
where: short stacking energy: -325.312
Base-Backbone interact. energy: 1.833
local terms energy: -334.277570
where:
bonds (distance) C4'-P energy: -63.989
bonds (distance) P-C4' energy: -66.998
flat angles C4'-P-C4' energy: -79.512
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: -80.190
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1240.533360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.533360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.333360 (E_RNA)
where:
Base-Base interactions energy: -705.525
where: short stacking energy: -292.197
Base-Backbone interact. energy: 0.741
local terms energy: -339.549873
where:
bonds (distance) C4'-P energy: -74.072
bonds (distance) P-C4' energy: -66.948
flat angles C4'-P-C4' energy: -72.386
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -76.878
Dist. restrs. and SS energy: -196.200 (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: 60
Temperature: 1.100000
Total energy: -1141.307711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.307711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.307711 (E_RNA)
where:
Base-Base interactions energy: -694.107
where: short stacking energy: -311.692
Base-Backbone interact. energy: 0.500
local terms energy: -321.701443
where:
bonds (distance) C4'-P energy: -61.078
bonds (distance) P-C4' energy: -65.788
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -72.840
Dist. restrs. and SS energy: -126.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1105.716971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.716971 (E_RNA)
where:
Base-Base interactions energy: -670.993
where: short stacking energy: -271.370
Base-Backbone interact. energy: -0.074
local terms energy: -326.649623
where:
bonds (distance) C4'-P energy: -64.338
bonds (distance) P-C4' energy: -74.543
flat angles C4'-P-C4' energy: -70.983
flat angles P-C4'-P energy: -42.246
tors. eta vs tors. theta energy: -74.538
Dist. restrs. and SS energy: -108.000 (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: 60
Temperature: 1.200000
Total energy: -994.680791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.680791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.880791 (E_RNA)
where:
Base-Base interactions energy: -616.704
where: short stacking energy: -264.359
Base-Backbone interact. energy: 0.063
local terms energy: -286.239640
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -63.611
flat angles C4'-P-C4' energy: -66.573
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -59.934
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -929.619591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.619591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.419591 (E_RNA)
where:
Base-Base interactions energy: -535.142
where: short stacking energy: -220.403
Base-Backbone interact. energy: -0.532
local terms energy: -251.745615
where:
bonds (distance) C4'-P energy: -63.128
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -63.352
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -870.782631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.782631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.982631 (E_RNA)
where:
Base-Base interactions energy: -503.361
where: short stacking energy: -207.828
Base-Backbone interact. energy: -0.483
local terms energy: -239.138800
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -712.182122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.182122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.182122 (E_RNA)
where:
Base-Base interactions energy: -348.615
where: short stacking energy: -151.259
Base-Backbone interact. energy: -0.637
local terms energy: -254.930671
where:
bonds (distance) C4'-P energy: -78.167
bonds (distance) P-C4' energy: -67.819
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -35.470
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1412.828020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.828020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.628020 (E_RNA)
where:
Base-Base interactions energy: -849.622
where: short stacking energy: -309.066
Base-Backbone interact. energy: -3.125
local terms energy: -372.880639
where:
bonds (distance) C4'-P energy: -75.975
bonds (distance) P-C4' energy: -81.884
flat angles C4'-P-C4' energy: -85.827
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -85.694
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1308.194976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.194976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.994976 (E_RNA)
where:
Base-Base interactions energy: -792.672
where: short stacking energy: -349.729
Base-Backbone interact. energy: -3.209
local terms energy: -361.114012
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -73.671
flat angles C4'-P-C4' energy: -79.883
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -91.450
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1290.516208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.516208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.716208 (E_RNA)
where:
Base-Base interactions energy: -794.798
where: short stacking energy: -322.961
Base-Backbone interact. energy: 0.562
local terms energy: -341.480006
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -71.915
flat angles P-C4'-P energy: -54.317
tors. eta vs tors. theta energy: -84.873
Dist. restrs. and SS energy: -154.800 (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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1254.622578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.622578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.022578 (E_RNA)
where:
Base-Base interactions energy: -720.180
where: short stacking energy: -301.955
Base-Backbone interact. energy: -2.884
local terms energy: -329.958417
where:
bonds (distance) C4'-P energy: -60.905
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -77.141
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1148.595282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.595282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.395282 (E_RNA)
where:
Base-Base interactions energy: -685.510
where: short stacking energy: -313.439
Base-Backbone interact. energy: -3.198
local terms energy: -335.687520
where:
bonds (distance) C4'-P energy: -59.972
bonds (distance) P-C4' energy: -71.485
flat angles C4'-P-C4' energy: -73.544
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -78.854
Dist. restrs. and SS energy: -124.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1103.793840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.793840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.593840 (E_RNA)
where:
Base-Base interactions energy: -661.145
where: short stacking energy: -273.185
Base-Backbone interact. energy: -2.812
local terms energy: -333.636863
where:
bonds (distance) C4'-P energy: -67.174
bonds (distance) P-C4' energy: -71.204
flat angles C4'-P-C4' energy: -77.577
flat angles P-C4'-P energy: -49.419
tors. eta vs tors. theta energy: -68.261
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1024.289405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.289405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.489405 (E_RNA)
where:
Base-Base interactions energy: -643.428
where: short stacking energy: -281.235
Base-Backbone interact. energy: -0.680
local terms energy: -288.381854
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -70.669
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -68.830
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -907.657265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.657265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.057265 (E_RNA)
where:
Base-Base interactions energy: -495.216
where: short stacking energy: -207.329
Base-Backbone interact. energy: -0.744
local terms energy: -282.097224
where:
bonds (distance) C4'-P energy: -67.605
bonds (distance) P-C4' energy: -64.983
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -48.121
Dist. restrs. and SS energy: -129.600 (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: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -904.630014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.630014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.230014 (E_RNA)
where:
Base-Base interactions energy: -498.906
where: short stacking energy: -202.756
Base-Backbone interact. energy: 1.434
local terms energy: -266.758203
where:
bonds (distance) C4'-P energy: -58.457
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -71.097
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -36.585
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -707.096353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.096353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.896353 (E_RNA)
where:
Base-Base interactions energy: -384.453
where: short stacking energy: -177.225
Base-Backbone interact. energy: -3.073
local terms energy: -213.370516
where:
bonds (distance) C4'-P energy: -45.015
bonds (distance) P-C4' energy: -56.435
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -23.451
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1402.458974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.458974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.058974 (E_RNA)
where:
Base-Base interactions energy: -867.932
where: short stacking energy: -332.724
Base-Backbone interact. energy: -1.705
local terms energy: -347.422283
where:
bonds (distance) C4'-P energy: -61.053
bonds (distance) P-C4' energy: -65.583
flat angles C4'-P-C4' energy: -77.623
flat angles P-C4'-P energy: -57.350
tors. eta vs tors. theta energy: -85.813
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1293.163282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.163282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.963282 (E_RNA)
where:
Base-Base interactions energy: -756.976
where: short stacking energy: -341.716
Base-Backbone interact. energy: 0.606
local terms energy: -385.593269
where:
bonds (distance) C4'-P energy: -77.616
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -86.310
flat angles P-C4'-P energy: -55.468
tors. eta vs tors. theta energy: -93.583
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1288.979399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.979399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.579399 (E_RNA)
where:
Base-Base interactions energy: -791.105
where: short stacking energy: -329.182
Base-Backbone interact. energy: -2.063
local terms energy: -337.411370
where:
bonds (distance) C4'-P energy: -58.453
bonds (distance) P-C4' energy: -64.226
flat angles C4'-P-C4' energy: -73.664
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -93.690
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1248.634771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.634771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.034771 (E_RNA)
where:
Base-Base interactions energy: -706.595
where: short stacking energy: -299.129
Base-Backbone interact. energy: -1.940
local terms energy: -347.499927
where:
bonds (distance) C4'-P energy: -72.251
bonds (distance) P-C4' energy: -72.413
flat angles C4'-P-C4' energy: -75.019
flat angles P-C4'-P energy: -46.881
tors. eta vs tors. theta energy: -80.936
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1127.089999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.089999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.489999 (E_RNA)
where:
Base-Base interactions energy: -680.754
where: short stacking energy: -287.466
Base-Backbone interact. energy: -0.439
local terms energy: -316.296755
where:
bonds (distance) C4'-P energy: -57.287
bonds (distance) P-C4' energy: -68.292
flat angles C4'-P-C4' energy: -73.534
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -78.273
Dist. restrs. and SS energy: -129.600 (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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1109.466561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.466561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.266561 (E_RNA)
where:
Base-Base interactions energy: -675.708
where: short stacking energy: -274.369
Base-Backbone interact. energy: -2.210
local terms energy: -325.349289
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -62.869
flat angles C4'-P-C4' energy: -74.698
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -76.803
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1015.443704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.443704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.643704 (E_RNA)
where:
Base-Base interactions energy: -617.534
where: short stacking energy: -268.686
Base-Backbone interact. energy: -2.406
local terms energy: -303.703703
where:
bonds (distance) C4'-P energy: -52.851
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -78.561
flat angles P-C4'-P energy: -46.040
tors. eta vs tors. theta energy: -65.233
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -895.187784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.187784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.187784 (E_RNA)
where:
Base-Base interactions energy: -483.003
where: short stacking energy: -227.831
Base-Backbone interact. energy: -2.339
local terms energy: -283.846395
where:
bonds (distance) C4'-P energy: -63.362
bonds (distance) P-C4' energy: -57.780
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -47.687
tors. eta vs tors. theta energy: -48.920
Dist. restrs. and SS energy: -126.000 (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: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -940.593121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.593121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.993121 (E_RNA)
where:
Base-Base interactions energy: -523.524
where: short stacking energy: -212.567
Base-Backbone interact. energy: -1.598
local terms energy: -258.871433
where:
bonds (distance) C4'-P energy: -46.280
bonds (distance) P-C4' energy: -71.412
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -43.158
tors. eta vs tors. theta energy: -37.509
Dist. restrs. and SS energy: -156.600 (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: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -727.642876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.642876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.242876 (E_RNA)
where:
Base-Base interactions energy: -387.828
where: short stacking energy: -167.495
Base-Backbone interact. energy: -2.705
local terms energy: -232.709960
where:
bonds (distance) C4'-P energy: -53.786
bonds (distance) P-C4' energy: -66.698
flat angles C4'-P-C4' energy: -41.262
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -33.771
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1390.324502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.324502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.924502 (E_RNA)
where:
Base-Base interactions energy: -837.110
where: short stacking energy: -328.536
Base-Backbone interact. energy: -1.303
local terms energy: -366.511074
where:
bonds (distance) C4'-P energy: -88.162
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -85.024
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1285.790816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.790816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.590816 (E_RNA)
where:
Base-Base interactions energy: -780.570
where: short stacking energy: -321.770
Base-Backbone interact. energy: -1.959
local terms energy: -352.061761
where:
bonds (distance) C4'-P energy: -75.664
bonds (distance) P-C4' energy: -72.266
flat angles C4'-P-C4' energy: -71.253
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -84.413
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1282.356467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.356467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.956467 (E_RNA)
where:
Base-Base interactions energy: -777.907
where: short stacking energy: -330.965
Base-Backbone interact. energy: -0.938
local terms energy: -345.111944
where:
bonds (distance) C4'-P energy: -73.121
bonds (distance) P-C4' energy: -61.939
flat angles C4'-P-C4' energy: -74.073
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -91.747
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1237.443924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.443924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.243924 (E_RNA)
where:
Base-Base interactions energy: -721.168
where: short stacking energy: -311.052
Base-Backbone interact. energy: -1.657
local terms energy: -318.418790
where:
bonds (distance) C4'-P energy: -67.820
bonds (distance) P-C4' energy: -60.837
flat angles C4'-P-C4' energy: -70.266
flat angles P-C4'-P energy: -42.797
tors. eta vs tors. theta energy: -76.699
Dist. restrs. and SS energy: -196.200 (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: 63
Temperature: 1.100000
Total energy: -1117.981372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.981372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.781372 (E_RNA)
where:
Base-Base interactions energy: -677.202
where: short stacking energy: -291.516
Base-Backbone interact. energy: -0.928
local terms energy: -297.651072
where:
bonds (distance) C4'-P energy: -57.781
bonds (distance) P-C4' energy: -61.905
flat angles C4'-P-C4' energy: -66.527
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -70.568
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1113.601909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.601909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.601909 (E_RNA)
where:
Base-Base interactions energy: -674.451
where: short stacking energy: -271.919
Base-Backbone interact. energy: -0.105
local terms energy: -331.045283
where:
bonds (distance) C4'-P energy: -60.184
bonds (distance) P-C4' energy: -75.595
flat angles C4'-P-C4' energy: -65.776
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -77.803
Dist. restrs. and SS energy: -108.000 (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: 63
Temperature: 1.200000
Total energy: -1012.999988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.999988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.799988 (E_RNA)
where:
Base-Base interactions energy: -622.267
where: short stacking energy: -263.141
Base-Backbone interact. energy: -0.014
local terms energy: -302.519134
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -66.786
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -39.633
tors. eta vs tors. theta energy: -64.821
Dist. restrs. and SS energy: -88.200 (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: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -983.864284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.864284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.664284 (E_RNA)
where:
Base-Base interactions energy: -547.666
where: short stacking energy: -245.343
Base-Backbone interact. energy: -0.419
local terms energy: -293.579586
where:
bonds (distance) C4'-P energy: -66.594
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -65.879
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -50.991
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -891.896682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.896682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.896682 (E_RNA)
where:
Base-Base interactions energy: -527.730
where: short stacking energy: -218.748
Base-Backbone interact. energy: 1.540
local terms energy: -239.706726
where:
bonds (distance) C4'-P energy: -57.152
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -34.735
Dist. restrs. and SS energy: -126.000 (S_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: 63
Temperature: 1.350000
Total energy: -723.976972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.976972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.176972 (E_RNA)
where:
Base-Base interactions energy: -392.733
where: short stacking energy: -175.731
Base-Backbone interact. energy: 3.030
local terms energy: -233.473999
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -57.992
flat angles C4'-P-C4' energy: -53.680
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -29.015
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1397.792097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.792097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.992097 (E_RNA)
where:
Base-Base interactions energy: -829.113
where: short stacking energy: -329.265
Base-Backbone interact. energy: -1.433
local terms energy: -385.446150
where:
bonds (distance) C4'-P energy: -78.237
bonds (distance) P-C4' energy: -83.000
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: -92.251
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1294.881997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.881997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.081997 (E_RNA)
where:
Base-Base interactions energy: -803.286
where: short stacking energy: -325.542
Base-Backbone interact. energy: 1.977
local terms energy: -347.773300
where:
bonds (distance) C4'-P energy: -69.791
bonds (distance) P-C4' energy: -68.936
flat angles C4'-P-C4' energy: -71.592
flat angles P-C4'-P energy: -48.857
tors. eta vs tors. theta energy: -88.597
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. 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: -1274.388558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.388558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.988558 (E_RNA)
where:
Base-Base interactions energy: -775.849
where: short stacking energy: -330.618
Base-Backbone interact. energy: -0.958
local terms energy: -339.181723
where:
bonds (distance) C4'-P energy: -53.198
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -44.188
tors. eta vs tors. theta energy: -97.527
Dist. restrs. and SS energy: -158.400 (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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1263.631451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.631451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.831451 (E_RNA)
where:
Base-Base interactions energy: -714.709
where: short stacking energy: -308.332
Base-Backbone interact. energy: 1.003
local terms energy: -350.126203
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -71.995
flat angles C4'-P-C4' energy: -78.851
flat angles P-C4'-P energy: -52.138
tors. eta vs tors. theta energy: -90.909
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1165.309981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.309981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.109981 (E_RNA)
where:
Base-Base interactions energy: -728.739
where: short stacking energy: -313.563
Base-Backbone interact. energy: -3.335
local terms energy: -327.036447
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -76.667
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -75.426
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1080.667145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.667145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.067145 (E_RNA)
where:
Base-Base interactions energy: -628.942
where: short stacking energy: -262.049
Base-Backbone interact. energy: -0.487
local terms energy: -312.638013
where:
bonds (distance) C4'-P energy: -65.235
bonds (distance) P-C4' energy: -73.249
flat angles C4'-P-C4' energy: -65.549
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -67.534
Dist. restrs. and SS energy: -138.600 (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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1016.804320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.804320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.204320 (E_RNA)
where:
Base-Base interactions energy: -553.662
where: short stacking energy: -233.899
Base-Backbone interact. energy: -3.198
local terms energy: -303.344698
where:
bonds (distance) C4'-P energy: -70.768
bonds (distance) P-C4' energy: -63.647
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -58.861
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -999.501005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.501005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.501005 (E_RNA)
where:
Base-Base interactions energy: -606.701
where: short stacking energy: -259.492
Base-Backbone interact. energy: -2.650
local terms energy: -300.149695
where:
bonds (distance) C4'-P energy: -55.201
bonds (distance) P-C4' energy: -66.755
flat angles C4'-P-C4' energy: -73.334
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -68.612
Dist. restrs. and SS energy: -90.000 (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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -863.325152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.325152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.325152 (E_RNA)
where:
Base-Base interactions energy: -462.426
where: short stacking energy: -188.449
Base-Backbone interact. energy: -0.919
local terms energy: -264.979884
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -69.443
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: -135.000 (S_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: 64
Temperature: 1.350000
Total energy: -797.598468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.598468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.398468 (E_RNA)
where:
Base-Base interactions energy: -457.820
where: short stacking energy: -221.261
Base-Backbone interact. energy: 5.335
local terms energy: -238.914263
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: -46.343
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1415.513301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.513301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.313301 (E_RNA)
where:
Base-Base interactions energy: -857.215
where: short stacking energy: -340.931
Base-Backbone interact. energy: -1.840
local terms energy: -369.257754
where:
bonds (distance) C4'-P energy: -67.772
bonds (distance) P-C4' energy: -73.444
flat angles C4'-P-C4' energy: -84.538
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -97.042
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1304.871287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.871287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.271287 (E_RNA)
where:
Base-Base interactions energy: -792.513
where: short stacking energy: -335.583
Base-Backbone interact. energy: 1.174
local terms energy: -365.931856
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -80.794
flat angles P-C4'-P energy: -58.324
tors. eta vs tors. theta energy: -97.977
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. 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: -1277.161349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.361349 (E_RNA)
where:
Base-Base interactions energy: -778.760
where: short stacking energy: -309.011
Base-Backbone interact. energy: -1.203
local terms energy: -342.398387
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -73.136
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -83.897
Dist. restrs. and SS energy: -154.800 (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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1256.044366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.044366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.244366 (E_RNA)
where:
Base-Base interactions energy: -736.442
where: short stacking energy: -306.460
Base-Backbone interact. energy: 1.362
local terms energy: -321.164837
where:
bonds (distance) C4'-P energy: -68.573
bonds (distance) P-C4' energy: -56.549
flat angles C4'-P-C4' energy: -66.148
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -74.520
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1156.345249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.345249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.145249 (E_RNA)
where:
Base-Base interactions energy: -730.951
where: short stacking energy: -303.154
Base-Backbone interact. energy: -0.550
local terms energy: -318.644396
where:
bonds (distance) C4'-P energy: -66.923
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -66.320
flat angles P-C4'-P energy: -46.126
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1029.737574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.737574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.137574 (E_RNA)
where:
Base-Base interactions energy: -589.153
where: short stacking energy: -233.138
Base-Backbone interact. energy: -0.379
local terms energy: -283.605341
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -52.346
Dist. restrs. and SS energy: -156.600 (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: 65
Temperature: 1.200000
Total energy: -1013.920883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.920883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.320883 (E_RNA)
where:
Base-Base interactions energy: -603.473
where: short stacking energy: -251.806
Base-Backbone interact. energy: 3.274
local terms energy: -284.122309
where:
bonds (distance) C4'-P energy: -59.788
bonds (distance) P-C4' energy: -68.589
flat angles C4'-P-C4' energy: -60.482
flat angles P-C4'-P energy: -40.881
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -976.265505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.265505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.865505 (E_RNA)
where:
Base-Base interactions energy: -589.450
where: short stacking energy: -237.637
Base-Backbone interact. energy: -0.616
local terms energy: -290.799498
where:
bonds (distance) C4'-P energy: -58.079
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -67.610
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: -59.321
Dist. restrs. and SS energy: -95.400 (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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -864.048671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.048671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.848671 (E_RNA)
where:
Base-Base interactions energy: -481.191
where: short stacking energy: -196.733
Base-Backbone interact. energy: 2.493
local terms energy: -252.150709
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -69.320
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -36.185
Dist. restrs. and SS energy: -133.200 (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: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -762.781340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.781340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.981340 (E_RNA)
where:
Base-Base interactions energy: -405.713
where: short stacking energy: -183.496
Base-Backbone interact. energy: 2.313
local terms energy: -258.581621
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -43.553
tors. eta vs tors. theta energy: -42.568
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1415.006648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.006648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.806648 (E_RNA)
where:
Base-Base interactions energy: -857.770
where: short stacking energy: -322.869
Base-Backbone interact. energy: -0.014
local terms energy: -370.022290
where:
bonds (distance) C4'-P energy: -73.802
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -83.536
flat angles P-C4'-P energy: -57.993
tors. eta vs tors. theta energy: -80.300
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1314.237739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.237739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.637739 (E_RNA)
where:
Base-Base interactions energy: -798.273
where: short stacking energy: -349.469
Base-Backbone interact. energy: -3.085
local terms energy: -365.279319
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -65.110
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -57.798
tors. eta vs tors. theta energy: -98.257
Dist. restrs. and SS energy: -147.600 (S_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: 66
Temperature: 1.000000
Total energy: -1311.015007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.015007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.015007 (E_RNA)
where:
Base-Base interactions energy: -771.017
where: short stacking energy: -333.817
Base-Backbone interact. energy: -0.935
local terms energy: -341.062823
where:
bonds (distance) C4'-P energy: -64.395
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -76.135
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -82.108
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1274.287123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.287123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.887123 (E_RNA)
where:
Base-Base interactions energy: -753.196
where: short stacking energy: -291.115
Base-Backbone interact. energy: -3.080
local terms energy: -350.611330
where:
bonds (distance) C4'-P energy: -70.584
bonds (distance) P-C4' energy: -75.454
flat angles C4'-P-C4' energy: -70.965
flat angles P-C4'-P energy: -55.387
tors. eta vs tors. theta energy: -78.222
Dist. restrs. and SS energy: -167.400 (S_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: 66
Temperature: 1.100000
Total energy: -1166.397523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.397523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.397523 (E_RNA)
where:
Base-Base interactions energy: -695.957
where: short stacking energy: -300.966
Base-Backbone interact. energy: -0.936
local terms energy: -361.503929
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -70.276
flat angles C4'-P-C4' energy: -81.123
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -95.829
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1024.014976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.014976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.214976 (E_RNA)
where:
Base-Base interactions energy: -581.710
where: short stacking energy: -249.191
Base-Backbone interact. energy: -1.396
local terms energy: -286.108878
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -56.752
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -48.972
tors. eta vs tors. theta energy: -49.684
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1051.071118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.071118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.471118 (E_RNA)
where:
Base-Base interactions energy: -651.053
where: short stacking energy: -265.197
Base-Backbone interact. energy: -1.029
local terms energy: -269.388810
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -49.704
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -66.217
Dist. restrs. and SS energy: -129.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1004.946560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.946560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.946560 (E_RNA)
where:
Base-Base interactions energy: -630.603
where: short stacking energy: -261.539
Base-Backbone interact. energy: 7.426
local terms energy: -291.769881
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -71.458
Dist. restrs. and SS energy: -90.000 (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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -916.808968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.808968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.208968 (E_RNA)
where:
Base-Base interactions energy: -507.028
where: short stacking energy: -218.863
Base-Backbone interact. energy: -3.744
local terms energy: -267.437180
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -76.095
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: -138.600 (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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -724.233256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.233256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.233256 (E_RNA)
where:
Base-Base interactions energy: -388.865
where: short stacking energy: -168.563
Base-Backbone interact. energy: -0.960
local terms energy: -226.408612
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -67.283
flat angles P-C4'-P energy: -31.913
tors. eta vs tors. theta energy: -26.436
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1418.493516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.493516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.093516 (E_RNA)
where:
Base-Base interactions energy: -846.744
where: short stacking energy: -324.407
Base-Backbone interact. energy: -2.145
local terms energy: -384.203825
where:
bonds (distance) C4'-P energy: -72.972
bonds (distance) P-C4' energy: -70.692
flat angles C4'-P-C4' energy: -88.046
flat angles P-C4'-P energy: -64.696
tors. eta vs tors. theta energy: -87.797
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1326.564827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.564827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.764827 (E_RNA)
where:
Base-Base interactions energy: -805.537
where: short stacking energy: -347.043
Base-Backbone interact. energy: -0.152
local terms energy: -375.076207
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -72.776
flat angles C4'-P-C4' energy: -83.368
flat angles P-C4'-P energy: -67.358
tors. eta vs tors. theta energy: -91.316
Dist. restrs. and SS energy: -145.800 (S_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: 67
Temperature: 1.000000
Total energy: -1294.777118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.777118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.777118 (E_RNA)
where:
Base-Base interactions energy: -742.200
where: short stacking energy: -326.166
Base-Backbone interact. energy: -0.364
local terms energy: -354.213156
where:
bonds (distance) C4'-P energy: -63.861
bonds (distance) P-C4' energy: -73.602
flat angles C4'-P-C4' energy: -77.594
flat angles P-C4'-P energy: -51.394
tors. eta vs tors. theta energy: -87.763
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1249.601017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.601017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.401017 (E_RNA)
where:
Base-Base interactions energy: -745.185
where: short stacking energy: -320.850
Base-Backbone interact. energy: -3.136
local terms energy: -341.080413
where:
bonds (distance) C4'-P energy: -65.844
bonds (distance) P-C4' energy: -62.957
flat angles C4'-P-C4' energy: -78.428
flat angles P-C4'-P energy: -50.137
tors. eta vs tors. theta energy: -83.715
Dist. restrs. and SS energy: -160.200 (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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1167.494906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.494906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.294906 (E_RNA)
where:
Base-Base interactions energy: -715.176
where: short stacking energy: -311.147
Base-Backbone interact. energy: -0.440
local terms energy: -345.679448
where:
bonds (distance) C4'-P energy: -64.566
bonds (distance) P-C4' energy: -67.759
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -54.236
tors. eta vs tors. theta energy: -87.657
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1066.461704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.461704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.461704 (E_RNA)
where:
Base-Base interactions energy: -630.867
where: short stacking energy: -263.780
Base-Backbone interact. energy: -0.150
local terms energy: -300.444668
where:
bonds (distance) C4'-P energy: -60.451
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -53.675
tors. eta vs tors. theta energy: -66.150
Dist. restrs. and SS energy: -135.000 (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: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1019.443477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.443477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.843477 (E_RNA)
where:
Base-Base interactions energy: -579.717
where: short stacking energy: -239.387
Base-Backbone interact. energy: -1.375
local terms energy: -281.751523
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -70.977
flat angles C4'-P-C4' energy: -61.997
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1016.801792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.801792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.001792 (E_RNA)
where:
Base-Base interactions energy: -611.196
where: short stacking energy: -250.185
Base-Backbone interact. energy: -0.529
local terms energy: -313.277254
where:
bonds (distance) C4'-P energy: -75.288
bonds (distance) P-C4' energy: -53.739
flat angles C4'-P-C4' energy: -63.381
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -70.498
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -856.579207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.579207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.179207 (E_RNA)
where:
Base-Base interactions energy: -465.732
where: short stacking energy: -187.833
Base-Backbone interact. energy: -1.489
local terms energy: -248.958168
where:
bonds (distance) C4'-P energy: -65.171
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -52.252
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -710.655079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.655079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.055079 (E_RNA)
where:
Base-Base interactions energy: -380.190
where: short stacking energy: -179.599
Base-Backbone interact. energy: 0.452
local terms energy: -228.317134
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -58.912
flat angles C4'-P-C4' energy: -58.716
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -30.924
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1399.375814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.375814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.975814 (E_RNA)
where:
Base-Base interactions energy: -826.273
where: short stacking energy: -313.150
Base-Backbone interact. energy: -2.874
local terms energy: -384.828829
where:
bonds (distance) C4'-P energy: -79.437
bonds (distance) P-C4' energy: -83.272
flat angles C4'-P-C4' energy: -79.443
flat angles P-C4'-P energy: -54.303
tors. eta vs tors. theta energy: -88.373
Dist. restrs. and SS energy: -185.400 (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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1351.806864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.806864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.806864 (E_RNA)
where:
Base-Base interactions energy: -839.440
where: short stacking energy: -323.901
Base-Backbone interact. energy: -0.713
local terms energy: -367.653360
where:
bonds (distance) C4'-P energy: -68.300
bonds (distance) P-C4' energy: -72.975
flat angles C4'-P-C4' energy: -74.688
flat angles P-C4'-P energy: -50.146
tors. eta vs tors. theta energy: -101.545
Dist. restrs. and SS energy: -144.000 (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: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1289.496081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.496081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.696081 (E_RNA)
where:
Base-Base interactions energy: -736.869
where: short stacking energy: -313.936
Base-Backbone interact. energy: -3.974
local terms energy: -348.853502
where:
bonds (distance) C4'-P energy: -73.238
bonds (distance) P-C4' energy: -66.295
flat angles C4'-P-C4' energy: -79.395
flat angles P-C4'-P energy: -47.827
tors. eta vs tors. theta energy: -82.099
Dist. restrs. and SS energy: -199.800 (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: 68
Temperature: 1.050000
Total energy: -1235.981396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.981396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.381396 (E_RNA)
where:
Base-Base interactions energy: -730.814
where: short stacking energy: -305.024
Base-Backbone interact. energy: -2.662
local terms energy: -336.906049
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -81.360
flat angles C4'-P-C4' energy: -72.771
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -84.670
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1164.709392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.709392 (E_RNA)
where:
Base-Base interactions energy: -717.329
where: short stacking energy: -309.794
Base-Backbone interact. energy: -2.261
local terms energy: -337.119338
where:
bonds (distance) C4'-P energy: -61.224
bonds (distance) P-C4' energy: -70.155
flat angles C4'-P-C4' energy: -84.384
flat angles P-C4'-P energy: -36.596
tors. eta vs tors. theta energy: -84.761
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1070.541679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.541679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.141679 (E_RNA)
where:
Base-Base interactions energy: -632.288
where: short stacking energy: -266.836
Base-Backbone interact. energy: -1.258
local terms energy: -296.595984
where:
bonds (distance) C4'-P energy: -53.742
bonds (distance) P-C4' energy: -69.697
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -64.099
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1034.125117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.125117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.525117 (E_RNA)
where:
Base-Base interactions energy: -637.826
where: short stacking energy: -266.889
Base-Backbone interact. energy: -0.340
local terms energy: -302.358825
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -69.606
flat angles C4'-P-C4' energy: -72.368
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -61.290
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -974.951587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.951587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.351587 (E_RNA)
where:
Base-Base interactions energy: -548.497
where: short stacking energy: -240.296
Base-Backbone interact. energy: -2.180
local terms energy: -267.674621
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -63.634
flat angles C4'-P-C4' energy: -57.143
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -52.043
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -827.174264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.174264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.374264 (E_RNA)
where:
Base-Base interactions energy: -447.146
where: short stacking energy: -184.935
Base-Backbone interact. energy: 1.117
local terms energy: -244.345885
where:
bonds (distance) C4'-P energy: -47.402
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -69.562
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -749.481846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.281846 (E_RNA)
where:
Base-Base interactions energy: -397.345
where: short stacking energy: -165.160
Base-Backbone interact. energy: -2.308
local terms energy: -243.628465
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -55.799
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -29.345
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1395.701697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.101697 (E_RNA)
where:
Base-Base interactions energy: -852.633
where: short stacking energy: -340.439
Base-Backbone interact. energy: -1.556
local terms energy: -357.912899
where:
bonds (distance) C4'-P energy: -65.643
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -83.515
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -87.206
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1338.544852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.544852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.544852 (E_RNA)
where:
Base-Base interactions energy: -775.961
where: short stacking energy: -325.797
Base-Backbone interact. energy: 1.198
local terms energy: -365.782157
where:
bonds (distance) C4'-P energy: -71.126
bonds (distance) P-C4' energy: -75.142
flat angles C4'-P-C4' energy: -83.025
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -92.998
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1293.487281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.487281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.287281 (E_RNA)
where:
Base-Base interactions energy: -787.368
where: short stacking energy: -344.325
Base-Backbone interact. energy: -0.909
local terms energy: -354.010022
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -70.133
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -92.376
Dist. restrs. and SS energy: -151.200 (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: 69
Temperature: 1.050000
Total energy: -1278.370164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.370164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.170164 (E_RNA)
where:
Base-Base interactions energy: -780.643
where: short stacking energy: -314.337
Base-Backbone interact. energy: -0.255
local terms energy: -337.272075
where:
bonds (distance) C4'-P energy: -60.382
bonds (distance) P-C4' energy: -71.078
flat angles C4'-P-C4' energy: -73.511
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -81.036
Dist. restrs. and SS energy: -160.200 (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: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1144.805775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.805775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.805775 (E_RNA)
where:
Base-Base interactions energy: -699.884
where: short stacking energy: -292.225
Base-Backbone interact. energy: -0.628
local terms energy: -336.294282
where:
bonds (distance) C4'-P energy: -66.718
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -79.810
flat angles P-C4'-P energy: -43.574
tors. eta vs tors. theta energy: -82.203
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1077.626209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.626209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.826209 (E_RNA)
where:
Base-Base interactions energy: -623.902
where: short stacking energy: -265.066
Base-Backbone interact. energy: -0.739
local terms energy: -316.185237
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -68.697
flat angles C4'-P-C4' energy: -63.995
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -71.743
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -997.179244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.179244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.379244 (E_RNA)
where:
Base-Base interactions energy: -625.662
where: short stacking energy: -265.518
Base-Backbone interact. energy: 1.268
local terms energy: -280.985300
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -66.658
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -60.880
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -938.038252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.038252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.438252 (E_RNA)
where:
Base-Base interactions energy: -515.501
where: short stacking energy: -214.751
Base-Backbone interact. energy: 2.141
local terms energy: -268.078871
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -64.381
flat angles P-C4'-P energy: -42.296
tors. eta vs tors. theta energy: -37.087
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -835.099814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.099814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.899814 (E_RNA)
where:
Base-Base interactions energy: -447.778
where: short stacking energy: -212.100
Base-Backbone interact. energy: -0.607
local terms energy: -244.514365
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -55.425
flat angles C4'-P-C4' energy: -64.390
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -32.805
Dist. restrs. and SS energy: -142.200 (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: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -713.976503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.976503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.576503 (E_RNA)
where:
Base-Base interactions energy: -377.571
where: short stacking energy: -161.036
Base-Backbone interact. energy: -0.151
local terms energy: -231.854336
where:
bonds (distance) C4'-P energy: -53.475
bonds (distance) P-C4' energy: -61.058
flat angles C4'-P-C4' energy: -42.428
flat angles P-C4'-P energy: -49.304
tors. eta vs tors. theta energy: -25.590
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1393.925417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.925417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.525417 (E_RNA)
where:
Base-Base interactions energy: -835.123
where: short stacking energy: -323.611
Base-Backbone interact. energy: -0.590
local terms energy: -372.812832
where:
bonds (distance) C4'-P energy: -69.876
bonds (distance) P-C4' energy: -78.384
flat angles C4'-P-C4' energy: -83.380
flat angles P-C4'-P energy: -51.497
tors. eta vs tors. theta energy: -89.676
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1355.541140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.541140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.541140 (E_RNA)
where:
Base-Base interactions energy: -785.540
where: short stacking energy: -336.398
Base-Backbone interact. energy: -0.395
local terms energy: -371.605160
where:
bonds (distance) C4'-P energy: -75.414
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -78.589
flat angles P-C4'-P energy: -51.624
tors. eta vs tors. theta energy: -93.676
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1293.792280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.792280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.392280 (E_RNA)
where:
Base-Base interactions energy: -782.852
where: short stacking energy: -333.409
Base-Backbone interact. energy: -1.484
local terms energy: -360.056248
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -62.932
tors. eta vs tors. theta energy: -92.763
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1242.486261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.486261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.886261 (E_RNA)
where:
Base-Base interactions energy: -745.208
where: short stacking energy: -299.928
Base-Backbone interact. energy: -0.522
local terms energy: -331.156571
where:
bonds (distance) C4'-P energy: -63.774
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -75.228
flat angles P-C4'-P energy: -45.359
tors. eta vs tors. theta energy: -79.493
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1104.857356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.857356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.457356 (E_RNA)
where:
Base-Base interactions energy: -650.402
where: short stacking energy: -279.828
Base-Backbone interact. energy: 0.730
local terms energy: -314.784723
where:
bonds (distance) C4'-P energy: -57.437
bonds (distance) P-C4' energy: -72.018
flat angles C4'-P-C4' energy: -57.471
flat angles P-C4'-P energy: -48.867
tors. eta vs tors. theta energy: -78.991
Dist. restrs. and SS energy: -140.400 (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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1107.731300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.731300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.331300 (E_RNA)
where:
Base-Base interactions energy: -686.128
where: short stacking energy: -288.914
Base-Backbone interact. energy: 0.180
local terms energy: -317.383767
where:
bonds (distance) C4'-P energy: -67.772
bonds (distance) P-C4' energy: -67.949
flat angles C4'-P-C4' energy: -69.323
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -75.800
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1011.144594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.144594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.544594 (E_RNA)
where:
Base-Base interactions energy: -627.711
where: short stacking energy: -279.609
Base-Backbone interact. energy: 0.090
local terms energy: -289.923300
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -57.295
flat angles C4'-P-C4' energy: -64.694
flat angles P-C4'-P energy: -50.838
tors. eta vs tors. theta energy: -69.063
Dist. restrs. and SS energy: -93.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -962.583611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.583611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.583611 (E_RNA)
where:
Base-Base interactions energy: -543.372
where: short stacking energy: -221.334
Base-Backbone interact. energy: -0.716
local terms energy: -265.495168
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -64.374
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -46.378
Dist. restrs. and SS energy: -153.000 (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: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -846.713643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.713643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.313643 (E_RNA)
where:
Base-Base interactions energy: -463.507
where: short stacking energy: -207.657
Base-Backbone interact. energy: -2.942
local terms energy: -248.864690
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -45.787
tors. eta vs tors. theta energy: -37.950
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -709.953182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.953182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.353182 (E_RNA)
where:
Base-Base interactions energy: -387.967
where: short stacking energy: -171.506
Base-Backbone interact. energy: 1.246
local terms energy: -220.631482
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -47.038
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1413.360966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.360966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.760966 (E_RNA)
where:
Base-Base interactions energy: -850.795
where: short stacking energy: -329.163
Base-Backbone interact. energy: 1.930
local terms energy: -380.895677
where:
bonds (distance) C4'-P energy: -75.840
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -86.808
flat angles P-C4'-P energy: -55.691
tors. eta vs tors. theta energy: -87.417
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1358.755343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.755343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.955343 (E_RNA)
where:
Base-Base interactions energy: -795.401
where: short stacking energy: -335.248
Base-Backbone interact. energy: -2.049
local terms energy: -361.505387
where:
bonds (distance) C4'-P energy: -64.489
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -80.748
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -91.966
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1294.866574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.866574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.466574 (E_RNA)
where:
Base-Base interactions energy: -778.323
where: short stacking energy: -343.872
Base-Backbone interact. energy: -0.867
local terms energy: -366.275701
where:
bonds (distance) C4'-P energy: -54.883
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -86.110
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: -98.721
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1228.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.400565 (E_RNA)
where:
Base-Base interactions energy: -723.126
where: short stacking energy: -307.506
Base-Backbone interact. energy: -2.704
local terms energy: -335.569842
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -81.109
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -81.576
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1187.388061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.388061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.588061 (E_RNA)
where:
Base-Base interactions energy: -698.090
where: short stacking energy: -319.413
Base-Backbone interact. energy: -1.539
local terms energy: -332.959226
where:
bonds (distance) C4'-P energy: -78.714
bonds (distance) P-C4' energy: -64.654
flat angles C4'-P-C4' energy: -69.088
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -83.351
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1071.193458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.193458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.393458 (E_RNA)
where:
Base-Base interactions energy: -666.902
where: short stacking energy: -294.176
Base-Backbone interact. energy: -2.822
local terms energy: -309.669526
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -67.427
flat angles C4'-P-C4' energy: -61.578
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -85.265
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1105.010100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.010100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.810100 (E_RNA)
where:
Base-Base interactions energy: -700.609
where: short stacking energy: -272.528
Base-Backbone interact. energy: -0.718
local terms energy: -297.482814
where:
bonds (distance) C4'-P energy: -60.021
bonds (distance) P-C4' energy: -58.839
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -77.289
Dist. restrs. and SS energy: -106.200 (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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -974.603923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.603923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.603923 (E_RNA)
where:
Base-Base interactions energy: -550.145
where: short stacking energy: -229.437
Base-Backbone interact. energy: 7.761
local terms energy: -270.219987
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -65.711
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: -162.000 (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: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -807.445704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.445704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.445704 (E_RNA)
where:
Base-Base interactions energy: -422.717
where: short stacking energy: -183.343
Base-Backbone interact. energy: -2.054
local terms energy: -247.675403
where:
bonds (distance) C4'-P energy: -62.020
bonds (distance) P-C4' energy: -62.763
flat angles C4'-P-C4' energy: -51.001
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -39.355
Dist. restrs. and SS energy: -135.000 (S_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: 71
Temperature: 1.350000
Total energy: -696.152141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.152141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.952141 (E_RNA)
where:
Base-Base interactions energy: -359.610
where: short stacking energy: -147.392
Base-Backbone interact. energy: 1.431
local terms energy: -231.773657
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. 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: -1411.260306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.260306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.060306 (E_RNA)
where:
Base-Base interactions energy: -848.804
where: short stacking energy: -325.421
Base-Backbone interact. energy: -1.345
local terms energy: -373.910719
where:
bonds (distance) C4'-P energy: -77.090
bonds (distance) P-C4' energy: -75.440
flat angles C4'-P-C4' energy: -76.620
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -86.500
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1363.513400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.513400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.513400 (E_RNA)
where:
Base-Base interactions energy: -783.509
where: short stacking energy: -335.818
Base-Backbone interact. energy: 1.244
local terms energy: -383.247828
where:
bonds (distance) C4'-P energy: -83.378
bonds (distance) P-C4' energy: -71.207
flat angles C4'-P-C4' energy: -78.465
flat angles P-C4'-P energy: -57.571
tors. eta vs tors. theta energy: -92.627
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1288.524514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.524514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.324514 (E_RNA)
where:
Base-Base interactions energy: -771.364
where: short stacking energy: -328.041
Base-Backbone interact. energy: -1.905
local terms energy: -364.056252
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -62.755
flat angles C4'-P-C4' energy: -86.119
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -98.129
Dist. restrs. and SS energy: -151.200 (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: 72
Temperature: 1.050000
Total energy: -1287.724567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.724567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.724567 (E_RNA)
where:
Base-Base interactions energy: -777.975
where: short stacking energy: -312.953
Base-Backbone interact. energy: -3.637
local terms energy: -344.113149
where:
bonds (distance) C4'-P energy: -69.902
bonds (distance) P-C4' energy: -70.270
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -90.713
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1179.656436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.656436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.656436 (E_RNA)
where:
Base-Base interactions energy: -707.529
where: short stacking energy: -307.536
Base-Backbone interact. energy: -2.554
local terms energy: -316.573409
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -67.629
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -80.494
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1066.689201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.689201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.489201 (E_RNA)
where:
Base-Base interactions energy: -664.274
where: short stacking energy: -271.210
Base-Backbone interact. energy: -1.413
local terms energy: -303.802496
where:
bonds (distance) C4'-P energy: -59.964
bonds (distance) P-C4' energy: -62.423
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -44.468
tors. eta vs tors. theta energy: -66.472
Dist. restrs. and SS energy: -97.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1061.124216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.124216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.124216 (E_RNA)
where:
Base-Base interactions energy: -630.811
where: short stacking energy: -259.955
Base-Backbone interact. energy: -0.920
local terms energy: -321.392831
where:
bonds (distance) C4'-P energy: -70.502
bonds (distance) P-C4' energy: -72.685
flat angles C4'-P-C4' energy: -64.349
flat angles P-C4'-P energy: -44.345
tors. eta vs tors. theta energy: -69.513
Dist. restrs. and SS energy: -108.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -966.028536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.028536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.028536 (E_RNA)
where:
Base-Base interactions energy: -548.956
where: short stacking energy: -213.725
Base-Backbone interact. energy: -3.519
local terms energy: -251.554007
where:
bonds (distance) C4'-P energy: -59.384
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -45.280
Dist. restrs. and SS energy: -162.000 (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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -837.317892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.317892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.517892 (E_RNA)
where:
Base-Base interactions energy: -448.121
where: short stacking energy: -198.872
Base-Backbone interact. energy: -1.470
local terms energy: -250.927092
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -55.349
flat angles C4'-P-C4' energy: -59.567
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -49.020
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -695.618576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.618576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.018576 (E_RNA)
where:
Base-Base interactions energy: -348.965
where: short stacking energy: -144.418
Base-Backbone interact. energy: -2.183
local terms energy: -241.870599
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -74.843
flat angles C4'-P-C4' energy: -49.353
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1401.468427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.468427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.068427 (E_RNA)
where:
Base-Base interactions energy: -843.324
where: short stacking energy: -331.992
Base-Backbone interact. energy: -2.123
local terms energy: -370.621491
where:
bonds (distance) C4'-P energy: -74.877
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -76.873
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -92.715
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1365.293468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.293468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.293468 (E_RNA)
where:
Base-Base interactions energy: -799.228
where: short stacking energy: -337.596
Base-Backbone interact. energy: 0.154
local terms energy: -368.219410
where:
bonds (distance) C4'-P energy: -77.310
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -76.071
flat angles P-C4'-P energy: -50.525
tors. eta vs tors. theta energy: -90.487
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1279.451264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.451264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.651264 (E_RNA)
where:
Base-Base interactions energy: -751.381
where: short stacking energy: -315.891
Base-Backbone interact. energy: -1.576
local terms energy: -380.694167
where:
bonds (distance) C4'-P energy: -73.305
bonds (distance) P-C4' energy: -77.870
flat angles C4'-P-C4' energy: -83.894
flat angles P-C4'-P energy: -55.817
tors. eta vs tors. theta energy: -89.809
Dist. restrs. and SS energy: -145.800 (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: 73
Temperature: 1.050000
Total energy: -1278.698470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.698470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.898470 (E_RNA)
where:
Base-Base interactions energy: -770.430
where: short stacking energy: -302.955
Base-Backbone interact. energy: -2.888
local terms energy: -341.579718
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -81.514
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -77.891
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1159.631318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.631318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.831318 (E_RNA)
where:
Base-Base interactions energy: -665.978
where: short stacking energy: -283.217
Base-Backbone interact. energy: -3.055
local terms energy: -335.798301
where:
bonds (distance) C4'-P energy: -66.058
bonds (distance) P-C4' energy: -71.329
flat angles C4'-P-C4' energy: -75.949
flat angles P-C4'-P energy: -49.989
tors. eta vs tors. theta energy: -72.473
Dist. restrs. and SS energy: -154.800 (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: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1108.453360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.453360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.253360 (E_RNA)
where:
Base-Base interactions energy: -671.533
where: short stacking energy: -275.476
Base-Backbone interact. energy: 1.240
local terms energy: -331.960262
where:
bonds (distance) C4'-P energy: -66.099
bonds (distance) P-C4' energy: -69.183
flat angles C4'-P-C4' energy: -77.610
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: -77.006
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1043.840635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.840635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.640635 (E_RNA)
where:
Base-Base interactions energy: -641.312
where: short stacking energy: -269.515
Base-Backbone interact. energy: -1.421
local terms energy: -303.907884
where:
bonds (distance) C4'-P energy: -59.558
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -50.870
tors. eta vs tors. theta energy: -63.175
Dist. restrs. and SS energy: -97.200 (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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -990.983604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.983604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.983604 (E_RNA)
where:
Base-Base interactions energy: -562.357
where: short stacking energy: -234.561
Base-Backbone interact. energy: -0.478
local terms energy: -266.148899
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -64.348
flat angles C4'-P-C4' energy: -57.784
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -55.806
Dist. restrs. and SS energy: -162.000 (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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -830.869249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.869249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.469249 (E_RNA)
where:
Base-Base interactions energy: -447.800
where: short stacking energy: -193.811
Base-Backbone interact. energy: 3.302
local terms energy: -254.970428
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -68.166
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -46.718
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -732.804158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.804158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.204158 (E_RNA)
where:
Base-Base interactions energy: -392.058
where: short stacking energy: -166.900
Base-Backbone interact. energy: -0.884
local terms energy: -237.262949
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -58.270
flat angles C4'-P-C4' energy: -68.644
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1416.643768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.643768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.243768 (E_RNA)
where:
Base-Base interactions energy: -859.423
where: short stacking energy: -340.685
Base-Backbone interact. energy: -0.525
local terms energy: -371.295079
where:
bonds (distance) C4'-P energy: -72.710
bonds (distance) P-C4' energy: -75.027
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -52.463
tors. eta vs tors. theta energy: -93.178
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1355.261017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.261017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.661017 (E_RNA)
where:
Base-Base interactions energy: -800.170
where: short stacking energy: -346.678
Base-Backbone interact. energy: -0.665
local terms energy: -352.826552
where:
bonds (distance) C4'-P energy: -71.388
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -80.000
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: -92.283
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1323.424922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.424922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.024922 (E_RNA)
where:
Base-Base interactions energy: -807.112
where: short stacking energy: -335.428
Base-Backbone interact. energy: -3.078
local terms energy: -345.835285
where:
bonds (distance) C4'-P energy: -68.905
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -71.256
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -88.692
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1261.122092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.122092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.922092 (E_RNA)
where:
Base-Base interactions energy: -775.277
where: short stacking energy: -296.165
Base-Backbone interact. energy: 1.861
local terms energy: -336.506093
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -73.620
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -83.351
Dist. restrs. and SS energy: -151.200 (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: 74
Temperature: 1.100000
Total energy: -1179.868125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.868125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.868125 (E_RNA)
where:
Base-Base interactions energy: -699.069
where: short stacking energy: -292.637
Base-Backbone interact. energy: -4.291
local terms energy: -314.508745
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -71.312
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -83.655
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1097.967808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.967808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.367808 (E_RNA)
where:
Base-Base interactions energy: -669.028
where: short stacking energy: -270.775
Base-Backbone interact. energy: -2.398
local terms energy: -323.941512
where:
bonds (distance) C4'-P energy: -62.362
bonds (distance) P-C4' energy: -67.240
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -68.679
Dist. restrs. and SS energy: -102.600 (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: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1070.663082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.663082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.863082 (E_RNA)
where:
Base-Base interactions energy: -624.568
where: short stacking energy: -256.275
Base-Backbone interact. energy: -2.322
local terms energy: -279.973035
where:
bonds (distance) C4'-P energy: -63.505
bonds (distance) P-C4' energy: -52.007
flat angles C4'-P-C4' energy: -70.086
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -54.041
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -993.100205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.100205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.900205 (E_RNA)
where:
Base-Base interactions energy: -605.290
where: short stacking energy: -255.902
Base-Backbone interact. energy: -2.159
local terms energy: -288.451470
where:
bonds (distance) C4'-P energy: -72.434
bonds (distance) P-C4' energy: -57.584
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -56.835
Dist. restrs. and SS energy: -97.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -829.207025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.207025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.607025 (E_RNA)
where:
Base-Base interactions energy: -453.308
where: short stacking energy: -193.053
Base-Backbone interact. energy: 1.263
local terms energy: -229.562296
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -34.018
Dist. restrs. and SS energy: -147.600 (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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -726.354952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.354952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.354952 (E_RNA)
where:
Base-Base interactions energy: -390.065
where: short stacking energy: -165.340
Base-Backbone interact. energy: -1.470
local terms energy: -235.820253
where:
bonds (distance) C4'-P energy: -54.855
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -55.315
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1415.646695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.646695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.046695 (E_RNA)
where:
Base-Base interactions energy: -847.888
where: short stacking energy: -324.939
Base-Backbone interact. energy: -4.174
local terms energy: -379.984890
where:
bonds (distance) C4'-P energy: -74.096
bonds (distance) P-C4' energy: -82.670
flat angles C4'-P-C4' energy: -77.359
flat angles P-C4'-P energy: -51.951
tors. eta vs tors. theta energy: -93.909
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1350.069171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.069171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.469171 (E_RNA)
where:
Base-Base interactions energy: -784.352
where: short stacking energy: -329.077
Base-Backbone interact. energy: -1.431
local terms energy: -362.686309
where:
bonds (distance) C4'-P energy: -69.404
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -81.429
flat angles P-C4'-P energy: -53.567
tors. eta vs tors. theta energy: -91.054
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1311.690593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.690593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.890593 (E_RNA)
where:
Base-Base interactions energy: -795.169
where: short stacking energy: -329.192
Base-Backbone interact. energy: -1.834
local terms energy: -350.887483
where:
bonds (distance) C4'-P energy: -70.747
bonds (distance) P-C4' energy: -73.552
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -82.598
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1220.260487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.260487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.860487 (E_RNA)
where:
Base-Base interactions energy: -711.071
where: short stacking energy: -316.972
Base-Backbone interact. energy: -1.731
local terms energy: -358.058325
where:
bonds (distance) C4'-P energy: -67.586
bonds (distance) P-C4' energy: -66.378
flat angles C4'-P-C4' energy: -82.639
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: -87.871
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1191.059026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.059026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.259026 (E_RNA)
where:
Base-Base interactions energy: -695.144
where: short stacking energy: -282.872
Base-Backbone interact. energy: -0.321
local terms energy: -331.794173
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -65.357
flat angles C4'-P-C4' energy: -73.586
flat angles P-C4'-P energy: -59.868
tors. eta vs tors. theta energy: -75.351
Dist. restrs. and SS energy: -163.800 (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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1134.337029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.337029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.137029 (E_RNA)
where:
Base-Base interactions energy: -683.049
where: short stacking energy: -292.317
Base-Backbone interact. energy: -1.192
local terms energy: -343.896163
where:
bonds (distance) C4'-P energy: -59.024
bonds (distance) P-C4' energy: -69.282
flat angles C4'-P-C4' energy: -70.926
flat angles P-C4'-P energy: -46.595
tors. eta vs tors. theta energy: -98.069
Dist. restrs. and SS energy: -106.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1094.413141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.413141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.213141 (E_RNA)
where:
Base-Base interactions energy: -628.576
where: short stacking energy: -257.280
Base-Backbone interact. energy: -2.258
local terms energy: -303.379570
where:
bonds (distance) C4'-P energy: -62.876
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -67.145
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -70.051
Dist. restrs. and SS energy: -160.200 (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: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -980.285720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.285720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.485720 (E_RNA)
where:
Base-Base interactions energy: -592.771
where: short stacking energy: -256.263
Base-Backbone interact. energy: -1.805
local terms energy: -293.909635
where:
bonds (distance) C4'-P energy: -66.822
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: -59.446
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -859.361111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.361111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.761111 (E_RNA)
where:
Base-Base interactions energy: -438.688
where: short stacking energy: -183.149
Base-Backbone interact. energy: 0.265
local terms energy: -282.337971
where:
bonds (distance) C4'-P energy: -66.253
bonds (distance) P-C4' energy: -77.140
flat angles C4'-P-C4' energy: -65.033
flat angles P-C4'-P energy: -44.798
tors. eta vs tors. theta energy: -29.115
Dist. restrs. and SS energy: -138.600 (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: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -741.935262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.935262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.535262 (E_RNA)
where:
Base-Base interactions energy: -399.463
where: short stacking energy: -176.299
Base-Backbone interact. energy: -3.187
local terms energy: -234.885596
where:
bonds (distance) C4'-P energy: -46.334
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -67.928
flat angles P-C4'-P energy: -37.741
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: -104.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1394.301763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.301763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.901763 (E_RNA)
where:
Base-Base interactions energy: -833.844
where: short stacking energy: -335.014
Base-Backbone interact. energy: -2.132
local terms energy: -372.925617
where:
bonds (distance) C4'-P energy: -75.125
bonds (distance) P-C4' energy: -79.679
flat angles C4'-P-C4' energy: -84.167
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -87.276
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1345.554504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.554504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.954504 (E_RNA)
where:
Base-Base interactions energy: -786.066
where: short stacking energy: -344.949
Base-Backbone interact. energy: -0.412
local terms energy: -357.475878
where:
bonds (distance) C4'-P energy: -76.003
bonds (distance) P-C4' energy: -68.211
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -95.345
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1299.848411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.848411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.048411 (E_RNA)
where:
Base-Base interactions energy: -778.753
where: short stacking energy: -305.429
Base-Backbone interact. energy: 1.243
local terms energy: -358.538674
where:
bonds (distance) C4'-P energy: -68.109
bonds (distance) P-C4' energy: -82.061
flat angles C4'-P-C4' energy: -76.858
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -83.511
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1200.128625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.128625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.128625 (E_RNA)
where:
Base-Base interactions energy: -707.368
where: short stacking energy: -301.108
Base-Backbone interact. energy: -1.492
local terms energy: -338.268642
where:
bonds (distance) C4'-P energy: -58.003
bonds (distance) P-C4' energy: -77.637
flat angles C4'-P-C4' energy: -78.199
flat angles P-C4'-P energy: -53.411
tors. eta vs tors. theta energy: -71.018
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1210.838031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.838031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.238031 (E_RNA)
where:
Base-Base interactions energy: -722.234
where: short stacking energy: -295.901
Base-Backbone interact. energy: -1.834
local terms energy: -312.169235
where:
bonds (distance) C4'-P energy: -64.961
bonds (distance) P-C4' energy: -60.849
flat angles C4'-P-C4' energy: -67.853
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -76.288
Dist. restrs. and SS energy: -174.600 (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: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1149.355473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.355473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.355473 (E_RNA)
where:
Base-Base interactions energy: -709.658
where: short stacking energy: -297.600
Base-Backbone interact. energy: -1.935
local terms energy: -329.762352
where:
bonds (distance) C4'-P energy: -57.821
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -81.796
flat angles P-C4'-P energy: -46.940
tors. eta vs tors. theta energy: -83.408
Dist. restrs. and SS energy: -108.000 (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: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1083.075692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.075692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.875692 (E_RNA)
where:
Base-Base interactions energy: -628.988
where: short stacking energy: -254.203
Base-Backbone interact. energy: -1.472
local terms energy: -292.414917
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -60.361
Dist. restrs. and SS energy: -160.200 (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: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -936.018295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.018295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.218295 (E_RNA)
where:
Base-Base interactions energy: -565.727
where: short stacking energy: -241.667
Base-Backbone interact. energy: -0.678
local terms energy: -277.813988
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -60.484
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -62.225
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -819.271669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.271669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.871669 (E_RNA)
where:
Base-Base interactions energy: -421.484
where: short stacking energy: -188.171
Base-Backbone interact. energy: -1.840
local terms energy: -264.547942
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -68.890
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -38.058
Dist. restrs. and SS energy: -131.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -700.886943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.886943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.086943 (E_RNA)
where:
Base-Base interactions energy: -373.221
where: short stacking energy: -147.539
Base-Backbone interact. energy: -1.129
local terms energy: -225.736629
where:
bonds (distance) C4'-P energy: -64.696
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -60.916
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: -100.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1399.743411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.743411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.543411 (E_RNA)
where:
Base-Base interactions energy: -845.518
where: short stacking energy: -327.564
Base-Backbone interact. energy: -2.291
local terms energy: -364.734087
where:
bonds (distance) C4'-P energy: -60.605
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -88.408
flat angles P-C4'-P energy: -57.008
tors. eta vs tors. theta energy: -91.990
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1343.447690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.447690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.447690 (E_RNA)
where:
Base-Base interactions energy: -818.779
where: short stacking energy: -341.806
Base-Backbone interact. energy: -0.667
local terms energy: -362.002107
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -60.647
flat angles C4'-P-C4' energy: -78.765
flat angles P-C4'-P energy: -53.626
tors. eta vs tors. theta energy: -95.139
Dist. restrs. and SS energy: -162.000 (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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1335.848476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.848476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.848476 (E_RNA)
where:
Base-Base interactions energy: -778.462
where: short stacking energy: -330.667
Base-Backbone interact. energy: 0.298
local terms energy: -359.684088
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -75.078
flat angles C4'-P-C4' energy: -78.314
flat angles P-C4'-P energy: -54.916
tors. eta vs tors. theta energy: -87.134
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1243.549232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.549232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.149232 (E_RNA)
where:
Base-Base interactions energy: -731.781
where: short stacking energy: -313.336
Base-Backbone interact. energy: 1.836
local terms energy: -337.204552
where:
bonds (distance) C4'-P energy: -62.314
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -52.956
tors. eta vs tors. theta energy: -88.273
Dist. restrs. and SS energy: -176.400 (S_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: 77
Temperature: 1.100000
Total energy: -1177.355918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.355918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.355918 (E_RNA)
where:
Base-Base interactions energy: -686.863
where: short stacking energy: -309.197
Base-Backbone interact. energy: 0.292
local terms energy: -337.785708
where:
bonds (distance) C4'-P energy: -63.212
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -71.865
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -85.952
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1136.139852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.139852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.339852 (E_RNA)
where:
Base-Base interactions energy: -719.787
where: short stacking energy: -284.365
Base-Backbone interact. energy: 5.836
local terms energy: -312.388782
where:
bonds (distance) C4'-P energy: -61.615
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -76.679
Dist. restrs. and SS energy: -109.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1048.566950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.566950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.766950 (E_RNA)
where:
Base-Base interactions energy: -583.955
where: short stacking energy: -242.913
Base-Backbone interact. energy: -3.735
local terms energy: -297.076714
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -64.443
flat angles C4'-P-C4' energy: -71.473
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -46.890
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -962.007122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.007122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.207122 (E_RNA)
where:
Base-Base interactions energy: -606.782
where: short stacking energy: -243.400
Base-Backbone interact. energy: 0.433
local terms energy: -263.857426
where:
bonds (distance) C4'-P energy: -61.740
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -59.497
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -54.894
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -807.795432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.795432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.595432 (E_RNA)
where:
Base-Base interactions energy: -472.981
where: short stacking energy: -185.280
Base-Backbone interact. energy: -2.066
local terms energy: -199.547879
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -69.922
flat angles C4'-P-C4' energy: -37.079
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: -133.200 (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: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -702.853182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.853182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.253182 (E_RNA)
where:
Base-Base interactions energy: -363.473
where: short stacking energy: -180.696
Base-Backbone interact. energy: 3.606
local terms energy: -240.386257
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -51.093
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1429.579881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.579881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.179881 (E_RNA)
where:
Base-Base interactions energy: -869.745
where: short stacking energy: -331.430
Base-Backbone interact. energy: -2.870
local terms energy: -371.565404
where:
bonds (distance) C4'-P energy: -73.487
bonds (distance) P-C4' energy: -68.698
flat angles C4'-P-C4' energy: -82.709
flat angles P-C4'-P energy: -59.956
tors. eta vs tors. theta energy: -86.715
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1348.961418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.961418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.761418 (E_RNA)
where:
Base-Base interactions energy: -815.783
where: short stacking energy: -336.184
Base-Backbone interact. energy: -2.255
local terms energy: -370.723137
where:
bonds (distance) C4'-P energy: -77.118
bonds (distance) P-C4' energy: -74.349
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -50.137
tors. eta vs tors. theta energy: -94.062
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1336.793438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.793438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.793438 (E_RNA)
where:
Base-Base interactions energy: -767.078
where: short stacking energy: -328.636
Base-Backbone interact. energy: -1.121
local terms energy: -370.593779
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -76.359
flat angles P-C4'-P energy: -56.581
tors. eta vs tors. theta energy: -93.448
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1263.629587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.629587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.429587 (E_RNA)
where:
Base-Base interactions energy: -746.368
where: short stacking energy: -302.409
Base-Backbone interact. energy: -2.986
local terms energy: -345.075617
where:
bonds (distance) C4'-P energy: -71.969
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -69.330
flat angles P-C4'-P energy: -55.578
tors. eta vs tors. theta energy: -79.757
Dist. restrs. and SS energy: -169.200 (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: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1174.485650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.485650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.085650 (E_RNA)
where:
Base-Base interactions energy: -704.346
where: short stacking energy: -309.153
Base-Backbone interact. energy: -3.243
local terms energy: -317.496829
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -62.947
flat angles P-C4'-P energy: -52.975
tors. eta vs tors. theta energy: -86.895
Dist. restrs. and SS energy: -149.400 (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: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1105.759964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.759964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.159964 (E_RNA)
where:
Base-Base interactions energy: -680.033
where: short stacking energy: -281.503
Base-Backbone interact. energy: -1.806
local terms energy: -312.320158
where:
bonds (distance) C4'-P energy: -76.306
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -73.099
Dist. restrs. and SS energy: -111.600 (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: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1030.888358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.888358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.888358 (E_RNA)
where:
Base-Base interactions energy: -574.660
where: short stacking energy: -240.575
Base-Backbone interact. energy: -2.611
local terms energy: -291.617913
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -65.564
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -53.681
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -980.255667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.255667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.855667 (E_RNA)
where:
Base-Base interactions energy: -593.461
where: short stacking energy: -250.355
Base-Backbone interact. energy: -1.339
local terms energy: -290.055666
where:
bonds (distance) C4'-P energy: -60.619
bonds (distance) P-C4' energy: -58.441
flat angles C4'-P-C4' energy: -68.128
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -62.062
Dist. restrs. and SS energy: -95.400 (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: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -867.582128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.582128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.182128 (E_RNA)
where:
Base-Base interactions energy: -482.228
where: short stacking energy: -196.816
Base-Backbone interact. energy: -0.396
local terms energy: -235.558237
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -58.954
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -710.356323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.356323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.756323 (E_RNA)
where:
Base-Base interactions energy: -365.244
where: short stacking energy: -176.637
Base-Backbone interact. energy: 0.092
local terms energy: -242.604553
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -58.230
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -31.026
Dist. restrs. and SS energy: -102.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1416.336034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.336034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.536034 (E_RNA)
where:
Base-Base interactions energy: -868.017
where: short stacking energy: -336.796
Base-Backbone interact. energy: -0.124
local terms energy: -366.394555
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -71.934
flat angles C4'-P-C4' energy: -83.373
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -89.463
Dist. restrs. and SS energy: -181.800 (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: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1351.355199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.355199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.755199 (E_RNA)
where:
Base-Base interactions energy: -801.798
where: short stacking energy: -331.545
Base-Backbone interact. energy: -2.022
local terms energy: -345.935076
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -67.865
flat angles C4'-P-C4' energy: -68.334
flat angles P-C4'-P energy: -54.647
tors. eta vs tors. theta energy: -86.516
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1319.395565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.795565 (E_RNA)
where:
Base-Base interactions energy: -812.277
where: short stacking energy: -338.590
Base-Backbone interact. energy: 0.928
local terms energy: -342.447207
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -66.565
flat angles C4'-P-C4' energy: -75.484
flat angles P-C4'-P energy: -49.708
tors. eta vs tors. theta energy: -86.183
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1275.281509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.281509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.881509 (E_RNA)
where:
Base-Base interactions energy: -754.814
where: short stacking energy: -292.272
Base-Backbone interact. energy: -1.507
local terms energy: -342.560752
where:
bonds (distance) C4'-P energy: -69.634
bonds (distance) P-C4' energy: -66.701
flat angles C4'-P-C4' energy: -70.122
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -87.742
Dist. restrs. and SS energy: -176.400 (S_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: 79
Temperature: 1.100000
Total energy: -1170.957641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.957641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.557641 (E_RNA)
where:
Base-Base interactions energy: -673.193
where: short stacking energy: -300.057
Base-Backbone interact. energy: -1.650
local terms energy: -346.714511
where:
bonds (distance) C4'-P energy: -77.566
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -77.892
Dist. restrs. and SS energy: -149.400 (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: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1107.591319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.591319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.991319 (E_RNA)
where:
Base-Base interactions energy: -664.375
where: short stacking energy: -258.350
Base-Backbone interact. energy: -1.923
local terms energy: -329.693957
where:
bonds (distance) C4'-P energy: -67.184
bonds (distance) P-C4' energy: -67.870
flat angles C4'-P-C4' energy: -68.234
flat angles P-C4'-P energy: -49.796
tors. eta vs tors. theta energy: -76.609
Dist. restrs. and SS energy: -111.600 (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: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1049.759698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.759698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.159698 (E_RNA)
where:
Base-Base interactions energy: -587.069
where: short stacking energy: -246.157
Base-Backbone interact. energy: -2.968
local terms energy: -294.122761
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -63.618
flat angles C4'-P-C4' energy: -60.474
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -57.775
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -959.447571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.447571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.847571 (E_RNA)
where:
Base-Base interactions energy: -576.781
where: short stacking energy: -227.976
Base-Backbone interact. energy: 0.565
local terms energy: -289.632012
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -67.886
flat angles C4'-P-C4' energy: -61.564
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -61.270
Dist. restrs. and SS energy: -93.600 (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: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -875.065808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.065808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.465808 (E_RNA)
where:
Base-Base interactions energy: -498.618
where: short stacking energy: -197.488
Base-Backbone interact. energy: -0.104
local terms energy: -228.743277
where:
bonds (distance) C4'-P energy: -51.699
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: -147.600 (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: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -726.983149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.983149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.783149 (E_RNA)
where:
Base-Base interactions energy: -380.354
where: short stacking energy: -178.591
Base-Backbone interact. energy: 3.017
local terms energy: -243.445374
where:
bonds (distance) C4'-P energy: -49.292
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -61.050
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: -106.200 (S_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: 80
Temperature: 0.900000
Total energy: -1404.312535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.312535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.312535 (E_RNA)
where:
Base-Base interactions energy: -839.224
where: short stacking energy: -369.239
Base-Backbone interact. energy: -1.734
local terms energy: -365.353549
where:
bonds (distance) C4'-P energy: -78.223
bonds (distance) P-C4' energy: -65.068
flat angles C4'-P-C4' energy: -83.733
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -99.909
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1393.669661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.669661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.069661 (E_RNA)
where:
Base-Base interactions energy: -850.622
where: short stacking energy: -346.891
Base-Backbone interact. energy: -1.370
local terms energy: -358.077210
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -80.140
flat angles C4'-P-C4' energy: -82.838
flat angles P-C4'-P energy: -42.691
tors. eta vs tors. theta energy: -81.652
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1323.596800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.596800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.996800 (E_RNA)
where:
Base-Base interactions energy: -813.994
where: short stacking energy: -338.799
Base-Backbone interact. energy: -0.731
local terms energy: -343.271359
where:
bonds (distance) C4'-P energy: -68.567
bonds (distance) P-C4' energy: -67.529
flat angles C4'-P-C4' energy: -79.673
flat angles P-C4'-P energy: -42.300
tors. eta vs tors. theta energy: -85.202
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1284.451357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.451357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.851357 (E_RNA)
where:
Base-Base interactions energy: -744.239
where: short stacking energy: -311.616
Base-Backbone interact. energy: -1.178
local terms energy: -364.434429
where:
bonds (distance) C4'-P energy: -67.847
bonds (distance) P-C4' energy: -81.984
flat angles C4'-P-C4' energy: -70.824
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -92.860
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1128.745108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.745108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.145108 (E_RNA)
where:
Base-Base interactions energy: -644.270
where: short stacking energy: -287.357
Base-Backbone interact. energy: -1.264
local terms energy: -326.611056
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -72.953
flat angles C4'-P-C4' energy: -65.702
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -75.445
Dist. restrs. and SS energy: -156.600 (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: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1105.690850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.690850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.890850 (E_RNA)
where:
Base-Base interactions energy: -654.924
where: short stacking energy: -249.445
Base-Backbone interact. energy: -2.700
local terms energy: -311.267093
where:
bonds (distance) C4'-P energy: -49.106
bonds (distance) P-C4' energy: -67.649
flat angles C4'-P-C4' energy: -79.469
flat angles P-C4'-P energy: -46.539
tors. eta vs tors. theta energy: -68.504
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1042.604752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.604752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.004752 (E_RNA)
where:
Base-Base interactions energy: -583.640
where: short stacking energy: -246.549
Base-Backbone interact. energy: -2.461
local terms energy: -290.903652
where:
bonds (distance) C4'-P energy: -55.957
bonds (distance) P-C4' energy: -71.618
flat angles C4'-P-C4' energy: -59.055
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -64.334
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -950.729587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.729587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.329587 (E_RNA)
where:
Base-Base interactions energy: -553.489
where: short stacking energy: -259.238
Base-Backbone interact. energy: 3.650
local terms energy: -305.490669
where:
bonds (distance) C4'-P energy: -65.398
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -32.530
tors. eta vs tors. theta energy: -63.686
Dist. restrs. and SS energy: -95.400 (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: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -935.004166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.004166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.404166 (E_RNA)
where:
Base-Base interactions energy: -525.994
where: short stacking energy: -233.960
Base-Backbone interact. energy: -0.900
local terms energy: -260.510089
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -54.382
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -48.399
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: -147.600 (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: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -742.465744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.465744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.265744 (E_RNA)
where:
Base-Base interactions energy: -374.053
where: short stacking energy: -161.683
Base-Backbone interact. energy: -2.420
local terms energy: -259.793279
where:
bonds (distance) C4'-P energy: -68.842
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -33.627
Dist. restrs. and SS energy: -106.200 (S_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: 81
Temperature: 0.900000
Total energy: -1392.786983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.786983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.786983 (E_RNA)
where:
Base-Base interactions energy: -809.172
where: short stacking energy: -339.093
Base-Backbone interact. energy: -1.225
local terms energy: -384.390686
where:
bonds (distance) C4'-P energy: -75.193
bonds (distance) P-C4' energy: -80.192
flat angles C4'-P-C4' energy: -83.955
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -90.460
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1338.215649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.215649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.615649 (E_RNA)
where:
Base-Base interactions energy: -819.667
where: short stacking energy: -332.015
Base-Backbone interact. energy: 3.685
local terms energy: -356.633171
where:
bonds (distance) C4'-P energy: -62.861
bonds (distance) P-C4' energy: -71.313
flat angles C4'-P-C4' energy: -83.698
flat angles P-C4'-P energy: -52.008
tors. eta vs tors. theta energy: -86.754
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1359.194737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.194737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.994737 (E_RNA)
where:
Base-Base interactions energy: -807.928
where: short stacking energy: -321.193
Base-Backbone interact. energy: -2.066
local terms energy: -371.000890
where:
bonds (distance) C4'-P energy: -68.219
bonds (distance) P-C4' energy: -80.376
flat angles C4'-P-C4' energy: -79.150
flat angles P-C4'-P energy: -56.437
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: -178.200 (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: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1304.424986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.424986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.624986 (E_RNA)
where:
Base-Base interactions energy: -757.730
where: short stacking energy: -312.381
Base-Backbone interact. energy: 1.090
local terms energy: -365.985252
where:
bonds (distance) C4'-P energy: -77.116
bonds (distance) P-C4' energy: -70.520
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -50.814
tors. eta vs tors. theta energy: -90.970
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1132.411667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.411667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.811667 (E_RNA)
where:
Base-Base interactions energy: -645.379
where: short stacking energy: -282.204
Base-Backbone interact. energy: 0.549
local terms energy: -330.981506
where:
bonds (distance) C4'-P energy: -67.434
bonds (distance) P-C4' energy: -80.410
flat angles C4'-P-C4' energy: -67.766
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -80.758
Dist. restrs. and SS energy: -156.600 (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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1131.406398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.406398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.406398 (E_RNA)
where:
Base-Base interactions energy: -692.628
where: short stacking energy: -299.922
Base-Backbone interact. energy: -1.324
local terms energy: -302.453935
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -40.366
tors. eta vs tors. theta energy: -90.425
Dist. restrs. and SS energy: -135.000 (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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1035.334921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.334921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.734921 (E_RNA)
where:
Base-Base interactions energy: -568.022
where: short stacking energy: -249.178
Base-Backbone interact. energy: 4.558
local terms energy: -306.271163
where:
bonds (distance) C4'-P energy: -65.361
bonds (distance) P-C4' energy: -73.512
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -57.179
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -931.438508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.438508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.238508 (E_RNA)
where:
Base-Base interactions energy: -511.110
where: short stacking energy: -225.260
Base-Backbone interact. energy: 0.118
local terms energy: -269.246549
where:
bonds (distance) C4'-P energy: -58.302
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -66.676
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -51.574
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -876.950728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.950728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.550728 (E_RNA)
where:
Base-Base interactions energy: -534.289
where: short stacking energy: -212.826
Base-Backbone interact. energy: -1.367
local terms energy: -245.895291
where:
bonds (distance) C4'-P energy: -42.253
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -40.524
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -772.241592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.241592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.441592 (E_RNA)
where:
Base-Base interactions energy: -421.965
where: short stacking energy: -175.235
Base-Backbone interact. energy: -1.070
local terms energy: -221.406576
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -56.322
flat angles C4'-P-C4' energy: -58.748
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: -127.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1431.596577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.596577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.796577 (E_RNA)
where:
Base-Base interactions energy: -854.525
where: short stacking energy: -355.170
Base-Backbone interact. energy: 0.061
local terms energy: -377.332584
where:
bonds (distance) C4'-P energy: -80.369
bonds (distance) P-C4' energy: -77.473
flat angles C4'-P-C4' energy: -72.163
flat angles P-C4'-P energy: -53.140
tors. eta vs tors. theta energy: -94.187
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1361.043717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.043717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.643717 (E_RNA)
where:
Base-Base interactions energy: -819.670
where: short stacking energy: -327.250
Base-Backbone interact. energy: -3.871
local terms energy: -370.103489
where:
bonds (distance) C4'-P energy: -80.570
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -51.545
tors. eta vs tors. theta energy: -85.305
Dist. restrs. and SS energy: -167.400 (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: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1348.105261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.105261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.705261 (E_RNA)
where:
Base-Base interactions energy: -820.141
where: short stacking energy: -326.358
Base-Backbone interact. energy: -1.077
local terms energy: -341.487150
where:
bonds (distance) C4'-P energy: -69.784
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -80.986
Dist. restrs. and SS energy: -185.400 (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: 82
Temperature: 1.050000
Total energy: -1287.925210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.925210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.725210 (E_RNA)
where:
Base-Base interactions energy: -751.874
where: short stacking energy: -293.592
Base-Backbone interact. energy: -7.002
local terms energy: -350.848972
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -75.126
flat angles C4'-P-C4' energy: -78.962
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -89.772
Dist. restrs. and SS energy: -178.200 (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: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1111.008152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.008152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.408152 (E_RNA)
where:
Base-Base interactions energy: -626.333
where: short stacking energy: -244.246
Base-Backbone interact. energy: -2.705
local terms energy: -316.369678
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -72.258
flat angles C4'-P-C4' energy: -66.798
flat angles P-C4'-P energy: -49.960
tors. eta vs tors. theta energy: -66.549
Dist. restrs. and SS energy: -165.600 (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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1149.053528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.053528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.053528 (E_RNA)
where:
Base-Base interactions energy: -710.142
where: short stacking energy: -308.016
Base-Backbone interact. energy: 1.291
local terms energy: -305.202270
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -72.594
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: -79.966
Dist. restrs. and SS energy: -135.000 (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: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1035.972814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.972814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.172814 (E_RNA)
where:
Base-Base interactions energy: -599.846
where: short stacking energy: -258.450
Base-Backbone interact. energy: -0.309
local terms energy: -272.018085
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -59.738
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -885.275934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.275934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.675934 (E_RNA)
where:
Base-Base interactions energy: -479.682
where: short stacking energy: -205.063
Base-Backbone interact. energy: -2.260
local terms energy: -255.734586
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -58.621
flat angles C4'-P-C4' energy: -67.796
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: -147.600 (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: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -869.538869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.538869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.138869 (E_RNA)
where:
Base-Base interactions energy: -515.337
where: short stacking energy: -202.839
Base-Backbone interact. energy: -2.384
local terms energy: -256.417155
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -35.348
tors. eta vs tors. theta energy: -53.814
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -864.416712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.416712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.816712 (E_RNA)
where:
Base-Base interactions energy: -497.509
where: short stacking energy: -195.101
Base-Backbone interact. energy: 2.961
local terms energy: -231.269257
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -61.571
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -35.683
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1423.145370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.145370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.945370 (E_RNA)
where:
Base-Base interactions energy: -852.636
where: short stacking energy: -349.650
Base-Backbone interact. energy: 2.677
local terms energy: -376.986904
where:
bonds (distance) C4'-P energy: -76.546
bonds (distance) P-C4' energy: -76.046
flat angles C4'-P-C4' energy: -79.740
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -90.599
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1370.651674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.651674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.251674 (E_RNA)
where:
Base-Base interactions energy: -818.817
where: short stacking energy: -325.346
Base-Backbone interact. energy: -1.984
local terms energy: -364.450568
where:
bonds (distance) C4'-P energy: -67.642
bonds (distance) P-C4' energy: -67.224
flat angles C4'-P-C4' energy: -80.867
flat angles P-C4'-P energy: -56.569
tors. eta vs tors. theta energy: -92.149
Dist. restrs. and SS energy: -185.400 (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: 83
Temperature: 1.000000
Total energy: -1317.881436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.881436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.281436 (E_RNA)
where:
Base-Base interactions energy: -816.206
where: short stacking energy: -328.488
Base-Backbone interact. energy: -2.757
local terms energy: -333.318125
where:
bonds (distance) C4'-P energy: -62.112
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -76.144
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -87.512
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1298.238998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.238998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.038998 (E_RNA)
where:
Base-Base interactions energy: -760.203
where: short stacking energy: -318.070
Base-Backbone interact. energy: 0.244
local terms energy: -351.080535
where:
bonds (distance) C4'-P energy: -60.309
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -88.136
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1113.563480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.563480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.563480 (E_RNA)
where:
Base-Base interactions energy: -617.346
where: short stacking energy: -259.688
Base-Backbone interact. energy: -1.045
local terms energy: -333.172437
where:
bonds (distance) C4'-P energy: -71.496
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -68.405
flat angles P-C4'-P energy: -57.861
tors. eta vs tors. theta energy: -70.557
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1075.997581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.997581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.397581 (E_RNA)
where:
Base-Base interactions energy: -619.440
where: short stacking energy: -255.720
Base-Backbone interact. energy: 2.237
local terms energy: -293.194936
where:
bonds (distance) C4'-P energy: -57.934
bonds (distance) P-C4' energy: -67.773
flat angles C4'-P-C4' energy: -64.927
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -61.078
Dist. restrs. and SS energy: -165.600 (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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1111.368473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.368473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.568473 (E_RNA)
where:
Base-Base interactions energy: -657.952
where: short stacking energy: -248.960
Base-Backbone interact. energy: -2.212
local terms energy: -314.404518
where:
bonds (distance) C4'-P energy: -70.891
bonds (distance) P-C4' energy: -59.750
flat angles C4'-P-C4' energy: -73.135
flat angles P-C4'-P energy: -49.247
tors. eta vs tors. theta energy: -61.382
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -908.830319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.830319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.630319 (E_RNA)
where:
Base-Base interactions energy: -502.913
where: short stacking energy: -229.875
Base-Backbone interact. energy: 2.138
local terms energy: -256.855320
where:
bonds (distance) C4'-P energy: -52.078
bonds (distance) P-C4' energy: -68.813
flat angles C4'-P-C4' energy: -67.677
flat angles P-C4'-P energy: -35.401
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -910.207093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.207093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.607093 (E_RNA)
where:
Base-Base interactions energy: -550.762
where: short stacking energy: -219.320
Base-Backbone interact. energy: -2.153
local terms energy: -272.691471
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -57.155
flat angles C4'-P-C4' energy: -66.298
flat angles P-C4'-P energy: -44.557
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: -84.600 (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: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -831.935656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.935656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.935656 (E_RNA)
where:
Base-Base interactions energy: -448.379
where: short stacking energy: -167.283
Base-Backbone interact. energy: -5.032
local terms energy: -234.525201
where:
bonds (distance) C4'-P energy: -72.127
bonds (distance) P-C4' energy: -59.644
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1426.139049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.139049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.539049 (E_RNA)
where:
Base-Base interactions energy: -853.531
where: short stacking energy: -336.725
Base-Backbone interact. energy: -0.127
local terms energy: -370.881942
where:
bonds (distance) C4'-P energy: -75.981
bonds (distance) P-C4' energy: -77.472
flat angles C4'-P-C4' energy: -86.354
flat angles P-C4'-P energy: -41.557
tors. eta vs tors. theta energy: -89.518
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1382.972269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.972269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.372269 (E_RNA)
where:
Base-Base interactions energy: -832.451
where: short stacking energy: -334.673
Base-Backbone interact. energy: -2.572
local terms energy: -364.349371
where:
bonds (distance) C4'-P energy: -70.465
bonds (distance) P-C4' energy: -71.584
flat angles C4'-P-C4' energy: -77.975
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -96.031
Dist. restrs. and SS energy: -183.600 (S_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: 84
Temperature: 1.000000
Total energy: -1322.380608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.380608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.380608 (E_RNA)
where:
Base-Base interactions energy: -785.826
where: short stacking energy: -308.310
Base-Backbone interact. energy: 0.547
local terms energy: -348.101742
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -72.903
flat angles P-C4'-P energy: -53.313
tors. eta vs tors. theta energy: -88.871
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1282.582624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.582624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.182624 (E_RNA)
where:
Base-Base interactions energy: -759.287
where: short stacking energy: -316.712
Base-Backbone interact. energy: -4.558
local terms energy: -351.338348
where:
bonds (distance) C4'-P energy: -65.735
bonds (distance) P-C4' energy: -66.291
flat angles C4'-P-C4' energy: -74.161
flat angles P-C4'-P energy: -53.575
tors. eta vs tors. theta energy: -91.576
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1152.529441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.529441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.129441 (E_RNA)
where:
Base-Base interactions energy: -652.638
where: short stacking energy: -289.610
Base-Backbone interact. energy: -1.850
local terms energy: -339.641656
where:
bonds (distance) C4'-P energy: -64.383
bonds (distance) P-C4' energy: -72.611
flat angles C4'-P-C4' energy: -79.045
flat angles P-C4'-P energy: -45.272
tors. eta vs tors. theta energy: -78.331
Dist. restrs. and SS energy: -158.400 (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: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1094.191526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.191526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.591526 (E_RNA)
where:
Base-Base interactions energy: -629.228
where: short stacking energy: -278.935
Base-Backbone interact. energy: 0.043
local terms energy: -299.406781
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -57.758
flat angles C4'-P-C4' energy: -71.352
flat angles P-C4'-P energy: -48.747
tors. eta vs tors. theta energy: -68.315
Dist. restrs. and SS energy: -165.600 (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: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1096.855941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.855941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.855941 (E_RNA)
where:
Base-Base interactions energy: -658.952
where: short stacking energy: -251.177
Base-Backbone interact. energy: -2.347
local terms energy: -300.556651
where:
bonds (distance) C4'-P energy: -62.064
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -62.758
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -942.518506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.518506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.918506 (E_RNA)
where:
Base-Base interactions energy: -531.145
where: short stacking energy: -227.255
Base-Backbone interact. energy: -0.685
local terms energy: -263.088884
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: -52.713
Dist. restrs. and SS energy: -147.600 (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: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -833.018834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.018834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.418834 (E_RNA)
where:
Base-Base interactions energy: -454.409
where: short stacking energy: -176.048
Base-Backbone interact. energy: -0.746
local terms energy: -230.263682
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -68.694
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: -147.600 (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: 84
Temperature: 1.350000
Total energy: -806.739019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.739019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.939019 (E_RNA)
where:
Base-Base interactions energy: -487.503
where: short stacking energy: -203.451
Base-Backbone interact. energy: 2.743
local terms energy: -230.179888
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -36.500
Dist. restrs. and SS energy: -91.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1433.332248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.332248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.532248 (E_RNA)
where:
Base-Base interactions energy: -857.215
where: short stacking energy: -370.001
Base-Backbone interact. energy: -2.420
local terms energy: -373.897376
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -84.903
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -95.031
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1391.144981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.144981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.944981 (E_RNA)
where:
Base-Base interactions energy: -839.450
where: short stacking energy: -338.463
Base-Backbone interact. energy: -0.270
local terms energy: -364.225254
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -68.656
flat angles C4'-P-C4' energy: -87.472
flat angles P-C4'-P energy: -40.813
tors. eta vs tors. theta energy: -99.174
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1351.455592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.455592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.455592 (E_RNA)
where:
Base-Base interactions energy: -797.940
where: short stacking energy: -307.852
Base-Backbone interact. energy: -2.110
local terms energy: -362.405416
where:
bonds (distance) C4'-P energy: -75.655
bonds (distance) P-C4' energy: -66.910
flat angles C4'-P-C4' energy: -77.424
flat angles P-C4'-P energy: -56.047
tors. eta vs tors. theta energy: -86.369
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1273.559966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.559966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.359966 (E_RNA)
where:
Base-Base interactions energy: -755.449
where: short stacking energy: -300.821
Base-Backbone interact. energy: -1.670
local terms energy: -347.240929
where:
bonds (distance) C4'-P energy: -58.515
bonds (distance) P-C4' energy: -80.836
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -54.893
tors. eta vs tors. theta energy: -84.006
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1118.199456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.199456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.599456 (E_RNA)
where:
Base-Base interactions energy: -638.239
where: short stacking energy: -258.970
Base-Backbone interact. energy: -0.605
local terms energy: -313.755343
where:
bonds (distance) C4'-P energy: -63.736
bonds (distance) P-C4' energy: -66.006
flat angles C4'-P-C4' energy: -70.812
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -64.966
Dist. restrs. and SS energy: -165.600 (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: 85
Temperature: 1.150000
Total energy: -1137.735401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.735401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.735401 (E_RNA)
where:
Base-Base interactions energy: -650.863
where: short stacking energy: -267.191
Base-Backbone interact. energy: -1.185
local terms energy: -305.687813
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -67.727
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -65.077
Dist. restrs. and SS energy: -180.000 (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: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1055.163783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.163783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.163783 (E_RNA)
where:
Base-Base interactions energy: -628.851
where: short stacking energy: -254.602
Base-Backbone interact. energy: -2.709
local terms energy: -288.603124
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -59.275
flat angles C4'-P-C4' energy: -66.060
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -58.153
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -945.668844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.668844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.668844 (E_RNA)
where:
Base-Base interactions energy: -526.449
where: short stacking energy: -224.565
Base-Backbone interact. energy: -1.461
local terms energy: -273.759070
where:
bonds (distance) C4'-P energy: -61.424
bonds (distance) P-C4' energy: -60.339
flat angles C4'-P-C4' energy: -70.132
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -48.093
Dist. restrs. and SS energy: -144.000 (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: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -885.977461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.977461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.177461 (E_RNA)
where:
Base-Base interactions energy: -497.868
where: short stacking energy: -199.177
Base-Backbone interact. energy: 3.414
local terms energy: -245.723941
where:
bonds (distance) C4'-P energy: -60.503
bonds (distance) P-C4' energy: -67.979
flat angles C4'-P-C4' energy: -58.160
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -37.784
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -797.145765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.145765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.145765 (E_RNA)
where:
Base-Base interactions energy: -457.251
where: short stacking energy: -192.947
Base-Backbone interact. energy: 3.939
local terms energy: -253.834376
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -63.111
flat angles C4'-P-C4' energy: -64.766
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1416.693708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.693708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.493708 (E_RNA)
where:
Base-Base interactions energy: -836.368
where: short stacking energy: -348.264
Base-Backbone interact. energy: -1.426
local terms energy: -382.699846
where:
bonds (distance) C4'-P energy: -79.796
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -82.985
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -90.486
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1380.001143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.001143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.401143 (E_RNA)
where:
Base-Base interactions energy: -820.439
where: short stacking energy: -315.557
Base-Backbone interact. energy: -1.765
local terms energy: -374.196996
where:
bonds (distance) C4'-P energy: -63.525
bonds (distance) P-C4' energy: -74.738
flat angles C4'-P-C4' energy: -87.885
flat angles P-C4'-P energy: -59.211
tors. eta vs tors. theta energy: -88.837
Dist. restrs. and SS energy: -183.600 (S_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: 86
Temperature: 1.000000
Total energy: -1327.691856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.691856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.691856 (E_RNA)
where:
Base-Base interactions energy: -796.695
where: short stacking energy: -318.176
Base-Backbone interact. energy: -1.071
local terms energy: -340.925325
where:
bonds (distance) C4'-P energy: -64.621
bonds (distance) P-C4' energy: -63.821
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -85.027
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1295.934922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.934922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.734922 (E_RNA)
where:
Base-Base interactions energy: -796.251
where: short stacking energy: -320.062
Base-Backbone interact. energy: 1.543
local terms energy: -332.026988
where:
bonds (distance) C4'-P energy: -60.170
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -72.883
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -77.733
Dist. restrs. and SS energy: -169.200 (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: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1177.358136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.358136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.558136 (E_RNA)
where:
Base-Base interactions energy: -672.240
where: short stacking energy: -290.986
Base-Backbone interact. energy: -1.410
local terms energy: -321.908403
where:
bonds (distance) C4'-P energy: -64.322
bonds (distance) P-C4' energy: -66.163
flat angles C4'-P-C4' energy: -75.510
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -72.381
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1101.017828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.017828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.417828 (E_RNA)
where:
Base-Base interactions energy: -627.466
where: short stacking energy: -273.184
Base-Backbone interact. energy: -2.524
local terms energy: -314.427503
where:
bonds (distance) C4'-P energy: -71.795
bonds (distance) P-C4' energy: -67.154
flat angles C4'-P-C4' energy: -61.269
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -70.154
Dist. restrs. and SS energy: -156.600 (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: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1093.384875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.384875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.184875 (E_RNA)
where:
Base-Base interactions energy: -666.863
where: short stacking energy: -285.025
Base-Backbone interact. energy: -0.654
local terms energy: -292.668061
where:
bonds (distance) C4'-P energy: -62.399
bonds (distance) P-C4' energy: -66.327
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -69.245
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -959.940290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.940290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.740290 (E_RNA)
where:
Base-Base interactions energy: -532.003
where: short stacking energy: -213.230
Base-Backbone interact. energy: -2.550
local terms energy: -283.187005
where:
bonds (distance) C4'-P energy: -66.897
bonds (distance) P-C4' energy: -67.533
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -39.869
tors. eta vs tors. theta energy: -45.971
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -905.753141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.753141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.353141 (E_RNA)
where:
Base-Base interactions energy: -526.426
where: short stacking energy: -228.271
Base-Backbone interact. energy: -5.173
local terms energy: -233.754764
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -44.080
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -758.535298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.535298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.135298 (E_RNA)
where:
Base-Base interactions energy: -418.422
where: short stacking energy: -179.531
Base-Backbone interact. energy: -2.886
local terms energy: -241.827356
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -70.603
flat angles C4'-P-C4' energy: -59.887
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1402.181776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.181776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.381776 (E_RNA)
where:
Base-Base interactions energy: -828.020
where: short stacking energy: -334.286
Base-Backbone interact. energy: -2.318
local terms energy: -372.043701
where:
bonds (distance) C4'-P energy: -73.999
bonds (distance) P-C4' energy: -74.947
flat angles C4'-P-C4' energy: -75.887
flat angles P-C4'-P energy: -56.685
tors. eta vs tors. theta energy: -90.526
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1391.632475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.632475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.232475 (E_RNA)
where:
Base-Base interactions energy: -845.285
where: short stacking energy: -344.515
Base-Backbone interact. energy: -3.076
local terms energy: -357.871462
where:
bonds (distance) C4'-P energy: -74.203
bonds (distance) P-C4' energy: -72.238
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -42.544
tors. eta vs tors. theta energy: -91.551
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1315.394013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.394013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.594013 (E_RNA)
where:
Base-Base interactions energy: -789.509
where: short stacking energy: -322.941
Base-Backbone interact. energy: -2.177
local terms energy: -341.908661
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -69.725
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -51.317
tors. eta vs tors. theta energy: -88.730
Dist. restrs. and SS energy: -181.800 (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: 87
Temperature: 1.050000
Total energy: -1289.595013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.595013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.395013 (E_RNA)
where:
Base-Base interactions energy: -794.405
where: short stacking energy: -299.978
Base-Backbone interact. energy: -1.515
local terms energy: -324.475195
where:
bonds (distance) C4'-P energy: -60.718
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -78.241
flat angles P-C4'-P energy: -43.990
tors. eta vs tors. theta energy: -73.229
Dist. restrs. and SS energy: -169.200 (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: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1230.890441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.890441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.290441 (E_RNA)
where:
Base-Base interactions energy: -696.477
where: short stacking energy: -280.690
Base-Backbone interact. energy: 0.105
local terms energy: -341.918370
where:
bonds (distance) C4'-P energy: -65.753
bonds (distance) P-C4' energy: -69.984
flat angles C4'-P-C4' energy: -76.930
flat angles P-C4'-P energy: -55.334
tors. eta vs tors. theta energy: -73.918
Dist. restrs. and SS energy: -192.600 (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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1099.877808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.877808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.677808 (E_RNA)
where:
Base-Base interactions energy: -655.287
where: short stacking energy: -259.969
Base-Backbone interact. energy: -1.237
local terms energy: -310.153711
where:
bonds (distance) C4'-P energy: -72.231
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -69.107
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -70.666
Dist. restrs. and SS energy: -133.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1085.856180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.856180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.056180 (E_RNA)
where:
Base-Base interactions energy: -631.642
where: short stacking energy: -270.418
Base-Backbone interact. energy: 0.017
local terms energy: -290.431199
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -62.189
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -71.317
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -978.354296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.354296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.554296 (E_RNA)
where:
Base-Base interactions energy: -539.736
where: short stacking energy: -229.911
Base-Backbone interact. energy: -1.050
local terms energy: -282.767987
where:
bonds (distance) C4'-P energy: -67.003
bonds (distance) P-C4' energy: -62.209
flat angles C4'-P-C4' energy: -66.838
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -42.944
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -906.315697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.315697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.915697 (E_RNA)
where:
Base-Base interactions energy: -495.006
where: short stacking energy: -199.803
Base-Backbone interact. energy: 0.435
local terms energy: -262.344605
where:
bonds (distance) C4'-P energy: -67.536
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -59.222
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -715.269246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.269246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.869246 (E_RNA)
where:
Base-Base interactions energy: -394.960
where: short stacking energy: -160.328
Base-Backbone interact. energy: -2.065
local terms energy: -222.844512
where:
bonds (distance) C4'-P energy: -55.389
bonds (distance) P-C4' energy: -53.676
flat angles C4'-P-C4' energy: -60.803
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -31.732
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1418.046851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.046851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.846851 (E_RNA)
where:
Base-Base interactions energy: -832.314
where: short stacking energy: -357.720
Base-Backbone interact. energy: -4.538
local terms energy: -384.995248
where:
bonds (distance) C4'-P energy: -72.011
bonds (distance) P-C4' energy: -74.890
flat angles C4'-P-C4' energy: -81.109
flat angles P-C4'-P energy: -61.069
tors. eta vs tors. theta energy: -95.916
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1386.537006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.537006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.137006 (E_RNA)
where:
Base-Base interactions energy: -852.590
where: short stacking energy: -350.900
Base-Backbone interact. energy: -0.971
local terms energy: -347.576381
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -68.499
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -42.814
tors. eta vs tors. theta energy: -94.716
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1354.134650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.134650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.734650 (E_RNA)
where:
Base-Base interactions energy: -812.010
where: short stacking energy: -328.170
Base-Backbone interact. energy: -3.560
local terms energy: -353.164972
where:
bonds (distance) C4'-P energy: -68.426
bonds (distance) P-C4' energy: -73.418
flat angles C4'-P-C4' energy: -72.060
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -90.488
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1269.542467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.542467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.542467 (E_RNA)
where:
Base-Base interactions energy: -782.927
where: short stacking energy: -298.880
Base-Backbone interact. energy: -1.919
local terms energy: -322.695835
where:
bonds (distance) C4'-P energy: -62.396
bonds (distance) P-C4' energy: -72.126
flat angles C4'-P-C4' energy: -65.029
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: -162.000 (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: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1225.451053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.451053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.051053 (E_RNA)
where:
Base-Base interactions energy: -703.990
where: short stacking energy: -299.201
Base-Backbone interact. energy: -0.452
local terms energy: -335.609355
where:
bonds (distance) C4'-P energy: -74.410
bonds (distance) P-C4' energy: -71.878
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -52.446
tors. eta vs tors. theta energy: -70.346
Dist. restrs. and SS energy: -185.400 (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: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1124.483466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.483466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.083466 (E_RNA)
where:
Base-Base interactions energy: -693.531
where: short stacking energy: -270.365
Base-Backbone interact. energy: -0.345
local terms energy: -290.208116
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -73.876
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1069.581912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.581912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.981912 (E_RNA)
where:
Base-Base interactions energy: -595.297
where: short stacking energy: -263.715
Base-Backbone interact. energy: -1.693
local terms energy: -306.992606
where:
bonds (distance) C4'-P energy: -62.996
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -66.918
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -63.557
Dist. restrs. and SS energy: -165.600 (S_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: -997.796451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.796451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.996451 (E_RNA)
where:
Base-Base interactions energy: -563.932
where: short stacking energy: -222.686
Base-Backbone interact. energy: -2.048
local terms energy: -268.016273
where:
bonds (distance) C4'-P energy: -61.290
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -36.192
tors. eta vs tors. theta energy: -41.596
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -908.608456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.608456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.608456 (E_RNA)
where:
Base-Base interactions energy: -521.162
where: short stacking energy: -229.358
Base-Backbone interact. energy: 2.347
local terms energy: -254.793380
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -59.967
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -36.186
Dist. restrs. and SS energy: -135.000 (S_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: 88
Temperature: 1.350000
Total energy: -742.578810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.578810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.578810 (E_RNA)
where:
Base-Base interactions energy: -441.823
where: short stacking energy: -181.125
Base-Backbone interact. energy: 0.972
local terms energy: -211.727038
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: -90.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1416.748717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.748717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.148717 (E_RNA)
where:
Base-Base interactions energy: -828.993
where: short stacking energy: -348.857
Base-Backbone interact. energy: -1.696
local terms energy: -384.459810
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -50.631
tors. eta vs tors. theta energy: -103.182
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1382.008380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.008380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.408380 (E_RNA)
where:
Base-Base interactions energy: -852.920
where: short stacking energy: -341.673
Base-Backbone interact. energy: -2.043
local terms energy: -343.445880
where:
bonds (distance) C4'-P energy: -61.640
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -88.721
Dist. restrs. and SS energy: -183.600 (S_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: 89
Temperature: 1.000000
Total energy: -1311.171775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.171775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.771775 (E_RNA)
where:
Base-Base interactions energy: -764.374
where: short stacking energy: -299.597
Base-Backbone interact. energy: -2.139
local terms energy: -350.257804
where:
bonds (distance) C4'-P energy: -70.156
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -82.518
flat angles P-C4'-P energy: -51.925
tors. eta vs tors. theta energy: -83.224
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1283.021309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.021309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.221309 (E_RNA)
where:
Base-Base interactions energy: -797.492
where: short stacking energy: -316.310
Base-Backbone interact. energy: 2.641
local terms energy: -324.370565
where:
bonds (distance) C4'-P energy: -56.949
bonds (distance) P-C4' energy: -71.290
flat angles C4'-P-C4' energy: -71.821
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -80.486
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1253.475613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.475613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.075613 (E_RNA)
where:
Base-Base interactions energy: -725.182
where: short stacking energy: -294.883
Base-Backbone interact. energy: 0.104
local terms energy: -333.997146
where:
bonds (distance) C4'-P energy: -70.585
bonds (distance) P-C4' energy: -60.737
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: -80.567
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1114.718454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.718454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.718454 (E_RNA)
where:
Base-Base interactions energy: -665.494
where: short stacking energy: -267.286
Base-Backbone interact. energy: 2.731
local terms energy: -307.955473
where:
bonds (distance) C4'-P energy: -51.105
bonds (distance) P-C4' energy: -76.771
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -54.130
Dist. restrs. and SS energy: -144.000 (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: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1056.419045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.419045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.619045 (E_RNA)
where:
Base-Base interactions energy: -615.657
where: short stacking energy: -256.853
Base-Backbone interact. energy: 9.763
local terms energy: -286.725697
where:
bonds (distance) C4'-P energy: -68.669
bonds (distance) P-C4' energy: -56.145
flat angles C4'-P-C4' energy: -70.179
flat angles P-C4'-P energy: -33.612
tors. eta vs tors. theta energy: -58.120
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -976.605826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.605826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.405826 (E_RNA)
where:
Base-Base interactions energy: -550.679
where: short stacking energy: -235.785
Base-Backbone interact. energy: -2.326
local terms energy: -272.400945
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -64.789
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -898.158241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.158241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.558241 (E_RNA)
where:
Base-Base interactions energy: -501.129
where: short stacking energy: -197.714
Base-Backbone interact. energy: 0.118
local terms energy: -258.546597
where:
bonds (distance) C4'-P energy: -58.578
bonds (distance) P-C4' energy: -62.570
flat angles C4'-P-C4' energy: -60.302
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: -138.600 (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: 89
Temperature: 1.350000
Total energy: -696.115784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.115784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.515784 (E_RNA)
where:
Base-Base interactions energy: -364.730
where: short stacking energy: -150.054
Base-Backbone interact. energy: 2.374
local terms energy: -222.159952
where:
bonds (distance) C4'-P energy: -60.326
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -57.662
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: -111.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1412.130653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.130653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.130653 (E_RNA)
where:
Base-Base interactions energy: -824.121
where: short stacking energy: -361.534
Base-Backbone interact. energy: -2.993
local terms energy: -387.017059
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -75.856
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -98.665
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1370.448301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.248301 (E_RNA)
where:
Base-Base interactions energy: -830.175
where: short stacking energy: -326.027
Base-Backbone interact. energy: -0.339
local terms energy: -352.734424
where:
bonds (distance) C4'-P energy: -69.107
bonds (distance) P-C4' energy: -72.381
flat angles C4'-P-C4' energy: -74.439
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -83.120
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1336.295183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.295183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.895183 (E_RNA)
where:
Base-Base interactions energy: -810.324
where: short stacking energy: -316.424
Base-Backbone interact. energy: -3.038
local terms energy: -328.533187
where:
bonds (distance) C4'-P energy: -64.915
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -87.963
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1274.674817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.674817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.074817 (E_RNA)
where:
Base-Base interactions energy: -769.495
where: short stacking energy: -297.481
Base-Backbone interact. energy: -1.453
local terms energy: -338.126941
where:
bonds (distance) C4'-P energy: -65.788
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -71.295
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -79.108
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1253.855325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.855325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.055325 (E_RNA)
where:
Base-Base interactions energy: -722.489
where: short stacking energy: -272.005
Base-Backbone interact. energy: -0.006
local terms energy: -331.560268
where:
bonds (distance) C4'-P energy: -72.519
bonds (distance) P-C4' energy: -56.176
flat angles C4'-P-C4' energy: -73.840
flat angles P-C4'-P energy: -59.328
tors. eta vs tors. theta energy: -69.698
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1157.206164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.206164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.806164 (E_RNA)
where:
Base-Base interactions energy: -701.739
where: short stacking energy: -286.811
Base-Backbone interact. energy: -0.690
local terms energy: -314.377600
where:
bonds (distance) C4'-P energy: -66.852
bonds (distance) P-C4' energy: -63.931
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -80.924
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1032.434535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.434535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.234535 (E_RNA)
where:
Base-Base interactions energy: -592.805
where: short stacking energy: -240.638
Base-Backbone interact. energy: 4.299
local terms energy: -283.728915
where:
bonds (distance) C4'-P energy: -63.602
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -51.774
Dist. restrs. and SS energy: -160.200 (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: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1005.462209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.462209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.462209 (E_RNA)
where:
Base-Base interactions energy: -565.067
where: short stacking energy: -219.725
Base-Backbone interact. energy: 0.555
local terms energy: -278.949616
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: -162.000 (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: 90
Temperature: 1.300000
Total energy: -718.928979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.928979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.528979 (E_RNA)
where:
Base-Base interactions energy: -379.683
where: short stacking energy: -171.295
Base-Backbone interact. energy: -1.257
local terms energy: -242.588943
where:
bonds (distance) C4'-P energy: -59.894
bonds (distance) P-C4' energy: -77.315
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: -95.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -854.118057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.118057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.318057 (E_RNA)
where:
Base-Base interactions energy: -467.113
where: short stacking energy: -190.363
Base-Backbone interact. energy: -0.681
local terms energy: -249.524423
where:
bonds (distance) C4'-P energy: -57.174
bonds (distance) P-C4' energy: -58.052
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -39.907
tors. eta vs tors. theta energy: -29.199
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1433.376884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.376884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.376884 (E_RNA)
where:
Base-Base interactions energy: -836.004
where: short stacking energy: -361.866
Base-Backbone interact. energy: -1.956
local terms energy: -397.416420
where:
bonds (distance) C4'-P energy: -77.500
bonds (distance) P-C4' energy: -82.534
flat angles C4'-P-C4' energy: -82.501
flat angles P-C4'-P energy: -60.220
tors. eta vs tors. theta energy: -94.661
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1375.895175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.895175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.495175 (E_RNA)
where:
Base-Base interactions energy: -837.776
where: short stacking energy: -334.084
Base-Backbone interact. energy: 0.636
local terms energy: -353.354901
where:
bonds (distance) C4'-P energy: -63.643
bonds (distance) P-C4' energy: -73.519
flat angles C4'-P-C4' energy: -70.955
flat angles P-C4'-P energy: -62.582
tors. eta vs tors. theta energy: -82.657
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1363.327921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.327921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.327921 (E_RNA)
where:
Base-Base interactions energy: -802.074
where: short stacking energy: -340.578
Base-Backbone interact. energy: -2.718
local terms energy: -369.535414
where:
bonds (distance) C4'-P energy: -73.575
bonds (distance) P-C4' energy: -80.279
flat angles C4'-P-C4' energy: -82.203
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -89.657
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1272.861135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.861135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.061135 (E_RNA)
where:
Base-Base interactions energy: -767.113
where: short stacking energy: -288.592
Base-Backbone interact. energy: 6.260
local terms energy: -348.207769
where:
bonds (distance) C4'-P energy: -76.325
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -54.935
tors. eta vs tors. theta energy: -70.291
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1219.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.622880 (E_RNA)
where:
Base-Base interactions energy: -715.096
where: short stacking energy: -304.198
Base-Backbone interact. energy: 0.483
local terms energy: -318.009991
where:
bonds (distance) C4'-P energy: -62.435
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -69.440
flat angles P-C4'-P energy: -58.486
tors. eta vs tors. theta energy: -68.621
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1158.940393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.940393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.540393 (E_RNA)
where:
Base-Base interactions energy: -683.204
where: short stacking energy: -284.735
Base-Backbone interact. energy: -0.281
local terms energy: -335.055414
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -69.152
flat angles C4'-P-C4' energy: -74.836
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1074.183919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.183919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.983919 (E_RNA)
where:
Base-Base interactions energy: -612.947
where: short stacking energy: -260.120
Base-Backbone interact. energy: 2.210
local terms energy: -303.246905
where:
bonds (distance) C4'-P energy: -73.411
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -61.371
Dist. restrs. and SS energy: -160.200 (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: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1005.676907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.676907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.876907 (E_RNA)
where:
Base-Base interactions energy: -563.092
where: short stacking energy: -220.282
Base-Backbone interact. energy: 5.585
local terms energy: -275.369856
where:
bonds (distance) C4'-P energy: -70.809
bonds (distance) P-C4' energy: -62.701
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: -172.800 (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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -712.949667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.949667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.949667 (E_RNA)
where:
Base-Base interactions energy: -369.380
where: short stacking energy: -164.692
Base-Backbone interact. energy: -0.069
local terms energy: -244.500026
where:
bonds (distance) C4'-P energy: -57.679
bonds (distance) P-C4' energy: -70.459
flat angles C4'-P-C4' energy: -62.345
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: -99.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -874.408621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.408621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.608621 (E_RNA)
where:
Base-Base interactions energy: -486.210
where: short stacking energy: -200.103
Base-Backbone interact. energy: 3.945
local terms energy: -255.344207
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -43.416
tors. eta vs tors. theta energy: -38.426
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1418.240767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.240767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.640767 (E_RNA)
where:
Base-Base interactions energy: -866.422
where: short stacking energy: -348.185
Base-Backbone interact. energy: -2.646
local terms energy: -365.572624
where:
bonds (distance) C4'-P energy: -66.519
bonds (distance) P-C4' energy: -70.168
flat angles C4'-P-C4' energy: -80.949
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: -92.703
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1385.152956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.152956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.352956 (E_RNA)
where:
Base-Base interactions energy: -816.393
where: short stacking energy: -358.680
Base-Backbone interact. energy: -1.183
local terms energy: -367.776387
where:
bonds (distance) C4'-P energy: -65.875
bonds (distance) P-C4' energy: -74.713
flat angles C4'-P-C4' energy: -77.835
flat angles P-C4'-P energy: -50.880
tors. eta vs tors. theta energy: -98.473
Dist. restrs. and SS energy: -199.800 (S_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: 92
Temperature: 1.000000
Total energy: -1321.283165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.283165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.683165 (E_RNA)
where:
Base-Base interactions energy: -787.117
where: short stacking energy: -322.575
Base-Backbone interact. energy: -2.313
local terms energy: -339.253487
where:
bonds (distance) C4'-P energy: -72.577
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -67.542
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1269.268124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.268124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.868124 (E_RNA)
where:
Base-Base interactions energy: -775.517
where: short stacking energy: -302.787
Base-Backbone interact. energy: -4.464
local terms energy: -321.887104
where:
bonds (distance) C4'-P energy: -69.871
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -78.025
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -73.636
Dist. restrs. and SS energy: -167.400 (S_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: 92
Temperature: 1.100000
Total energy: -1228.879259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.879259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.879259 (E_RNA)
where:
Base-Base interactions energy: -725.925
where: short stacking energy: -298.586
Base-Backbone interact. energy: -2.522
local terms energy: -311.432006
where:
bonds (distance) C4'-P energy: -65.425
bonds (distance) P-C4' energy: -55.036
flat angles C4'-P-C4' energy: -75.193
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1157.617300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.617300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.817300 (E_RNA)
where:
Base-Base interactions energy: -696.073
where: short stacking energy: -304.159
Base-Backbone interact. energy: -0.838
local terms energy: -314.906468
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -57.231
flat angles C4'-P-C4' energy: -73.594
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -92.838
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1054.043845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.043845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.443845 (E_RNA)
where:
Base-Base interactions energy: -584.974
where: short stacking energy: -224.320
Base-Backbone interact. energy: 1.463
local terms energy: -286.932541
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -34.038
tors. eta vs tors. theta energy: -58.906
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1031.649840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.649840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.049840 (E_RNA)
where:
Base-Base interactions energy: -596.039
where: short stacking energy: -221.834
Base-Backbone interact. energy: -3.006
local terms energy: -267.004344
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -65.924
flat angles C4'-P-C4' energy: -54.932
flat angles P-C4'-P energy: -36.161
tors. eta vs tors. theta energy: -52.455
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -901.880003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.880003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.880003 (E_RNA)
where:
Base-Base interactions energy: -508.275
where: short stacking energy: -216.016
Base-Backbone interact. energy: -0.840
local terms energy: -257.765532
where:
bonds (distance) C4'-P energy: -64.639
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -57.366
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -42.002
Dist. restrs. and SS energy: -135.000 (S_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: 92
Temperature: 1.350000
Total energy: -709.552842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.552842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.352842 (E_RNA)
where:
Base-Base interactions energy: -366.521
where: short stacking energy: -161.855
Base-Backbone interact. energy: -1.386
local terms energy: -226.445903
where:
bonds (distance) C4'-P energy: -54.126
bonds (distance) P-C4' energy: -67.114
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: -115.200 (S_DIST_RNA)
chem. 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: -1420.579679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.179679 (E_RNA)
where:
Base-Base interactions energy: -867.819
where: short stacking energy: -339.110
Base-Backbone interact. energy: -1.785
local terms energy: -365.575079
where:
bonds (distance) C4'-P energy: -64.523
bonds (distance) P-C4' energy: -72.630
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -93.236
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1401.378595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.378595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.778595 (E_RNA)
where:
Base-Base interactions energy: -828.978
where: short stacking energy: -340.447
Base-Backbone interact. energy: -0.626
local terms energy: -370.174001
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -81.723
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -97.312
Dist. restrs. and SS energy: -201.600 (S_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: 93
Temperature: 1.000000
Total energy: -1320.859163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.859163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.459163 (E_RNA)
where:
Base-Base interactions energy: -782.036
where: short stacking energy: -302.764
Base-Backbone interact. energy: -0.427
local terms energy: -343.995467
where:
bonds (distance) C4'-P energy: -68.549
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -72.288
flat angles P-C4'-P energy: -57.788
tors. eta vs tors. theta energy: -80.118
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1260.208384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.208384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.008384 (E_RNA)
where:
Base-Base interactions energy: -730.159
where: short stacking energy: -310.732
Base-Backbone interact. energy: -1.804
local terms energy: -341.044790
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -61.055
tors. eta vs tors. theta energy: -82.938
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1242.309170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.309170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.109170 (E_RNA)
where:
Base-Base interactions energy: -764.739
where: short stacking energy: -303.943
Base-Backbone interact. energy: -1.876
local terms energy: -306.493807
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -72.872
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -80.907
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1110.855809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.855809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.255809 (E_RNA)
where:
Base-Base interactions energy: -634.439
where: short stacking energy: -260.126
Base-Backbone interact. energy: -1.746
local terms energy: -300.070519
where:
bonds (distance) C4'-P energy: -70.324
bonds (distance) P-C4' energy: -58.912
flat angles C4'-P-C4' energy: -75.327
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -59.210
Dist. restrs. and SS energy: -174.600 (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: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1124.038631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.038631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.238631 (E_RNA)
where:
Base-Base interactions energy: -659.106
where: short stacking energy: -266.100
Base-Backbone interact. energy: -2.121
local terms energy: -317.011566
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -73.288
flat angles C4'-P-C4' energy: -75.599
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -84.619
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1010.556721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.556721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.356721 (E_RNA)
where:
Base-Base interactions energy: -581.969
where: short stacking energy: -234.787
Base-Backbone interact. energy: 0.994
local terms energy: -269.381201
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -69.698
flat angles P-C4'-P energy: -39.403
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -920.087383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.087383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.687383 (E_RNA)
where:
Base-Base interactions energy: -531.668
where: short stacking energy: -241.529
Base-Backbone interact. energy: -0.092
local terms energy: -247.927618
where:
bonds (distance) C4'-P energy: -45.263
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -53.103
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -829.987994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.987994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.387994 (E_RNA)
where:
Base-Base interactions energy: -442.959
where: short stacking energy: -159.524
Base-Backbone interact. energy: 3.457
local terms energy: -242.885341
where:
bonds (distance) C4'-P energy: -67.716
bonds (distance) P-C4' energy: -63.071
flat angles C4'-P-C4' energy: -54.783
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1425.278382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.278382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.678382 (E_RNA)
where:
Base-Base interactions energy: -836.229
where: short stacking energy: -344.930
Base-Backbone interact. energy: -2.427
local terms energy: -385.022104
where:
bonds (distance) C4'-P energy: -75.938
bonds (distance) P-C4' energy: -76.997
flat angles C4'-P-C4' energy: -82.046
flat angles P-C4'-P energy: -51.457
tors. eta vs tors. theta energy: -98.584
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1380.540113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.540113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.140113 (E_RNA)
where:
Base-Base interactions energy: -849.328
where: short stacking energy: -332.505
Base-Backbone interact. energy: -0.453
local terms energy: -345.358308
where:
bonds (distance) C4'-P energy: -74.950
bonds (distance) P-C4' energy: -67.081
flat angles C4'-P-C4' energy: -68.947
flat angles P-C4'-P energy: -41.791
tors. eta vs tors. theta energy: -92.589
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1341.524770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.524770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.724770 (E_RNA)
where:
Base-Base interactions energy: -787.455
where: short stacking energy: -319.710
Base-Backbone interact. energy: -0.761
local terms energy: -362.508957
where:
bonds (distance) C4'-P energy: -74.808
bonds (distance) P-C4' energy: -65.522
flat angles C4'-P-C4' energy: -76.780
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -88.627
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1276.734270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.734270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.534270 (E_RNA)
where:
Base-Base interactions energy: -731.600
where: short stacking energy: -303.885
Base-Backbone interact. energy: -2.910
local terms energy: -346.023405
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -70.789
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -54.164
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1250.925316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.925316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.125316 (E_RNA)
where:
Base-Base interactions energy: -756.909
where: short stacking energy: -299.176
Base-Backbone interact. energy: 3.606
local terms energy: -333.821460
where:
bonds (distance) C4'-P energy: -68.407
bonds (distance) P-C4' energy: -61.886
flat angles C4'-P-C4' energy: -76.481
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -79.913
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1132.536978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.536978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.136978 (E_RNA)
where:
Base-Base interactions energy: -661.014
where: short stacking energy: -279.222
Base-Backbone interact. energy: -1.033
local terms energy: -294.090260
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -59.990
flat angles C4'-P-C4' energy: -72.773
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -71.371
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1114.232787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.232787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.232787 (E_RNA)
where:
Base-Base interactions energy: -674.411
where: short stacking energy: -260.459
Base-Backbone interact. energy: -1.057
local terms energy: -294.764781
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -72.970
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -75.355
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1065.360208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.360208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.360208 (E_RNA)
where:
Base-Base interactions energy: -629.870
where: short stacking energy: -247.190
Base-Backbone interact. energy: -0.553
local terms energy: -272.937337
where:
bonds (distance) C4'-P energy: -49.389
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -66.363
flat angles P-C4'-P energy: -41.794
tors. eta vs tors. theta energy: -52.919
Dist. restrs. and SS energy: -162.000 (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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -901.913193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.913193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.513193 (E_RNA)
where:
Base-Base interactions energy: -500.629
where: short stacking energy: -199.485
Base-Backbone interact. energy: -1.625
local terms energy: -250.259257
where:
bonds (distance) C4'-P energy: -49.934
bonds (distance) P-C4' energy: -66.938
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: -35.213
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -879.484593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.484593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.684593 (E_RNA)
where:
Base-Base interactions energy: -517.439
where: short stacking energy: -193.980
Base-Backbone interact. energy: 1.343
local terms energy: -199.588881
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -46.570
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1403.206982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.206982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.606982 (E_RNA)
where:
Base-Base interactions energy: -841.882
where: short stacking energy: -343.040
Base-Backbone interact. energy: 0.778
local terms energy: -360.502788
where:
bonds (distance) C4'-P energy: -68.758
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -83.931
flat angles P-C4'-P energy: -51.376
tors. eta vs tors. theta energy: -93.229
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1382.644782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.644782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.444782 (E_RNA)
where:
Base-Base interactions energy: -829.332
where: short stacking energy: -333.208
Base-Backbone interact. energy: 0.523
local terms energy: -375.635662
where:
bonds (distance) C4'-P energy: -79.313
bonds (distance) P-C4' energy: -74.110
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -88.584
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1363.953482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.953482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.353482 (E_RNA)
where:
Base-Base interactions energy: -816.045
where: short stacking energy: -318.503
Base-Backbone interact. energy: -3.284
local terms energy: -352.024916
where:
bonds (distance) C4'-P energy: -68.329
bonds (distance) P-C4' energy: -79.139
flat angles C4'-P-C4' energy: -69.516
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -88.333
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1307.950859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.950859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.950859 (E_RNA)
where:
Base-Base interactions energy: -766.511
where: short stacking energy: -279.014
Base-Backbone interact. energy: -1.684
local terms energy: -341.754997
where:
bonds (distance) C4'-P energy: -77.584
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -73.251
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -73.909
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1255.459349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.059349 (E_RNA)
where:
Base-Base interactions energy: -755.211
where: short stacking energy: -295.545
Base-Backbone interact. energy: -0.430
local terms energy: -332.418370
where:
bonds (distance) C4'-P energy: -63.599
bonds (distance) P-C4' energy: -76.959
flat angles C4'-P-C4' energy: -70.612
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -79.721
Dist. restrs. and SS energy: -167.400 (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: 95
Temperature: 1.150000
Total energy: -1144.228066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.228066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.628066 (E_RNA)
where:
Base-Base interactions energy: -655.919
where: short stacking energy: -278.534
Base-Backbone interact. energy: -1.544
local terms energy: -303.164527
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -66.494
flat angles C4'-P-C4' energy: -70.360
flat angles P-C4'-P energy: -45.242
tors. eta vs tors. theta energy: -72.819
Dist. restrs. and SS energy: -183.600 (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: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1089.270974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.270974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.670974 (E_RNA)
where:
Base-Base interactions energy: -655.359
where: short stacking energy: -252.512
Base-Backbone interact. energy: 1.182
local terms energy: -287.493995
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -59.724
flat angles C4'-P-C4' energy: -64.934
flat angles P-C4'-P energy: -34.270
tors. eta vs tors. theta energy: -64.007
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1027.144011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.144011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.344011 (E_RNA)
where:
Base-Base interactions energy: -582.105
where: short stacking energy: -225.977
Base-Backbone interact. energy: 3.257
local terms energy: -284.496319
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -68.270
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -45.559
tors. eta vs tors. theta energy: -55.933
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -915.693105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.693105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.293105 (E_RNA)
where:
Base-Base interactions energy: -516.530
where: short stacking energy: -214.501
Base-Backbone interact. energy: 2.760
local terms energy: -261.523467
where:
bonds (distance) C4'-P energy: -65.908
bonds (distance) P-C4' energy: -52.308
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -42.199
tors. eta vs tors. theta energy: -41.026
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -940.082684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.082684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.282684 (E_RNA)
where:
Base-Base interactions energy: -538.433
where: short stacking energy: -200.706
Base-Backbone interact. energy: -1.885
local terms energy: -217.964306
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -62.924
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -43.383
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1425.152156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.152156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.552156 (E_RNA)
where:
Base-Base interactions energy: -842.475
where: short stacking energy: -347.956
Base-Backbone interact. energy: -3.035
local terms energy: -378.042250
where:
bonds (distance) C4'-P energy: -76.536
bonds (distance) P-C4' energy: -78.802
flat angles C4'-P-C4' energy: -80.565
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -89.208
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1362.924696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.924696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.524696 (E_RNA)
where:
Base-Base interactions energy: -818.010
where: short stacking energy: -309.628
Base-Backbone interact. energy: 4.313
local terms energy: -363.827817
where:
bonds (distance) C4'-P energy: -80.098
bonds (distance) P-C4' energy: -78.615
flat angles C4'-P-C4' energy: -71.882
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: -88.133
Dist. restrs. and SS energy: -185.400 (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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1349.131236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.131236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.531236 (E_RNA)
where:
Base-Base interactions energy: -804.006
where: short stacking energy: -319.290
Base-Backbone interact. energy: -1.369
local terms energy: -351.155990
where:
bonds (distance) C4'-P energy: -68.139
bonds (distance) P-C4' energy: -70.417
flat angles C4'-P-C4' energy: -76.051
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -91.273
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1313.580750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.580750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.380750 (E_RNA)
where:
Base-Base interactions energy: -769.746
where: short stacking energy: -308.297
Base-Backbone interact. energy: -1.385
local terms energy: -346.250388
where:
bonds (distance) C4'-P energy: -73.660
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -86.365
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: -80.810
Dist. restrs. and SS energy: -196.200 (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: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1269.046888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.046888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.246888 (E_RNA)
where:
Base-Base interactions energy: -774.894
where: short stacking energy: -316.394
Base-Backbone interact. energy: 0.044
local terms energy: -330.397826
where:
bonds (distance) C4'-P energy: -60.832
bonds (distance) P-C4' energy: -69.947
flat angles C4'-P-C4' energy: -75.239
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -84.557
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1123.960130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.960130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.560130 (E_RNA)
where:
Base-Base interactions energy: -639.891
where: short stacking energy: -251.936
Base-Backbone interact. energy: -5.056
local terms energy: -293.613301
where:
bonds (distance) C4'-P energy: -60.401
bonds (distance) P-C4' energy: -59.514
flat angles C4'-P-C4' energy: -70.218
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -62.271
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1109.954165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.954165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.154165 (E_RNA)
where:
Base-Base interactions energy: -660.776
where: short stacking energy: -271.956
Base-Backbone interact. energy: -1.022
local terms energy: -302.356092
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -64.245
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1026.003723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.003723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.403723 (E_RNA)
where:
Base-Base interactions energy: -587.051
where: short stacking energy: -240.741
Base-Backbone interact. energy: -2.339
local terms energy: -271.013767
where:
bonds (distance) C4'-P energy: -52.841
bonds (distance) P-C4' energy: -68.965
flat angles C4'-P-C4' energy: -62.355
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -49.121
Dist. restrs. and SS energy: -165.600 (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: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1052.405025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.405025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.805025 (E_RNA)
where:
Base-Base interactions energy: -581.377
where: short stacking energy: -229.514
Base-Backbone interact. energy: -0.403
local terms energy: -278.025767
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -61.511
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -56.286
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -871.398188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.398188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.398188 (E_RNA)
where:
Base-Base interactions energy: -462.017
where: short stacking energy: -208.980
Base-Backbone interact. energy: 5.235
local terms energy: -279.615388
where:
bonds (distance) C4'-P energy: -66.164
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -41.980
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1415.111322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.111322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.311322 (E_RNA)
where:
Base-Base interactions energy: -837.477
where: short stacking energy: -366.053
Base-Backbone interact. energy: -2.096
local terms energy: -375.738158
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -71.157
flat angles C4'-P-C4' energy: -86.700
flat angles P-C4'-P energy: -51.780
tors. eta vs tors. theta energy: -96.717
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1402.659439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.659439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.059439 (E_RNA)
where:
Base-Base interactions energy: -834.033
where: short stacking energy: -348.595
Base-Backbone interact. energy: -1.758
local terms energy: -383.268753
where:
bonds (distance) C4'-P energy: -74.109
bonds (distance) P-C4' energy: -78.189
flat angles C4'-P-C4' energy: -85.885
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -98.403
Dist. restrs. and SS energy: -183.600 (S_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: 97
Temperature: 1.000000
Total energy: -1334.099632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.099632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.499632 (E_RNA)
where:
Base-Base interactions energy: -830.796
where: short stacking energy: -348.481
Base-Backbone interact. energy: 0.304
local terms energy: -329.008008
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -75.733
flat angles C4'-P-C4' energy: -70.759
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -90.242
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1352.373542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.373542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.373542 (E_RNA)
where:
Base-Base interactions energy: -801.493
where: short stacking energy: -311.380
Base-Backbone interact. energy: -0.724
local terms energy: -352.156344
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -84.569
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -85.233
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1234.289384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.289384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.489384 (E_RNA)
where:
Base-Base interactions energy: -741.688
where: short stacking energy: -290.029
Base-Backbone interact. energy: -1.178
local terms energy: -327.623339
where:
bonds (distance) C4'-P energy: -66.942
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -73.799
flat angles P-C4'-P energy: -51.089
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: -163.800 (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: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1116.188675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.188675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.188675 (E_RNA)
where:
Base-Base interactions energy: -645.197
where: short stacking energy: -269.882
Base-Backbone interact. energy: -3.029
local terms energy: -314.962399
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -74.055
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -68.588
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1101.351464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.351464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.151464 (E_RNA)
where:
Base-Base interactions energy: -626.046
where: short stacking energy: -254.804
Base-Backbone interact. energy: -2.795
local terms energy: -285.309845
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -76.456
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -60.467
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1081.517023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.517023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.517023 (E_RNA)
where:
Base-Base interactions energy: -599.156
where: short stacking energy: -240.737
Base-Backbone interact. energy: -1.622
local terms energy: -273.738894
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: -49.634
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -976.856780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.856780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.656780 (E_RNA)
where:
Base-Base interactions energy: -540.412
where: short stacking energy: -224.627
Base-Backbone interact. energy: -0.837
local terms energy: -275.407815
where:
bonds (distance) C4'-P energy: -68.945
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -74.612
flat angles P-C4'-P energy: -36.536
tors. eta vs tors. theta energy: -39.883
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -864.808099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.808099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.208099 (E_RNA)
where:
Base-Base interactions energy: -469.362
where: short stacking energy: -195.999
Base-Backbone interact. energy: -0.203
local terms energy: -256.643154
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -62.374
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1425.982456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.982456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.182456 (E_RNA)
where:
Base-Base interactions energy: -851.026
where: short stacking energy: -371.153
Base-Backbone interact. energy: -3.197
local terms energy: -371.959742
where:
bonds (distance) C4'-P energy: -81.308
bonds (distance) P-C4' energy: -62.083
flat angles C4'-P-C4' energy: -82.317
flat angles P-C4'-P energy: -59.756
tors. eta vs tors. theta energy: -86.496
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1405.083671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.083671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.883671 (E_RNA)
where:
Base-Base interactions energy: -838.674
where: short stacking energy: -351.694
Base-Backbone interact. energy: 2.529
local terms energy: -381.738362
where:
bonds (distance) C4'-P energy: -68.193
bonds (distance) P-C4' energy: -75.083
flat angles C4'-P-C4' energy: -82.428
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -104.876
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1339.666781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.666781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.666781 (E_RNA)
where:
Base-Base interactions energy: -793.468
where: short stacking energy: -336.265
Base-Backbone interact. energy: -0.666
local terms energy: -365.532925
where:
bonds (distance) C4'-P energy: -69.590
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -58.330
tors. eta vs tors. theta energy: -86.917
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1322.489499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.489499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.689499 (E_RNA)
where:
Base-Base interactions energy: -770.605
where: short stacking energy: -309.430
Base-Backbone interact. energy: -4.920
local terms energy: -347.164389
where:
bonds (distance) C4'-P energy: -73.458
bonds (distance) P-C4' energy: -65.117
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -75.983
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1207.487410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.487410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.487410 (E_RNA)
where:
Base-Base interactions energy: -705.358
where: short stacking energy: -265.640
Base-Backbone interact. energy: -1.452
local terms energy: -338.677266
where:
bonds (distance) C4'-P energy: -74.044
bonds (distance) P-C4' energy: -70.757
flat angles C4'-P-C4' energy: -80.358
flat angles P-C4'-P energy: -48.483
tors. eta vs tors. theta energy: -65.035
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1121.331501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.331501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.131501 (E_RNA)
where:
Base-Base interactions energy: -672.537
where: short stacking energy: -261.657
Base-Backbone interact. energy: -0.041
local terms energy: -288.554124
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -64.130
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -70.379
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1132.040313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.040313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.240313 (E_RNA)
where:
Base-Base interactions energy: -626.258
where: short stacking energy: -266.611
Base-Backbone interact. energy: 7.147
local terms energy: -304.129217
where:
bonds (distance) C4'-P energy: -64.823
bonds (distance) P-C4' energy: -67.908
flat angles C4'-P-C4' energy: -65.175
flat angles P-C4'-P energy: -55.373
tors. eta vs tors. theta energy: -50.851
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1036.700372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.700372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.700372 (E_RNA)
where:
Base-Base interactions energy: -576.859
where: short stacking energy: -224.790
Base-Backbone interact. energy: 0.878
local terms energy: -289.718970
where:
bonds (distance) C4'-P energy: -66.849
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -73.356
flat angles P-C4'-P energy: -38.536
tors. eta vs tors. theta energy: -58.468
Dist. restrs. and SS energy: -171.000 (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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -965.215699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.215699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.615699 (E_RNA)
where:
Base-Base interactions energy: -542.954
where: short stacking energy: -226.921
Base-Backbone interact. energy: -1.218
local terms energy: -255.444115
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -58.212
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: -54.942
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -851.221185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.221185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.221185 (E_RNA)
where:
Base-Base interactions energy: -446.896
where: short stacking energy: -173.050
Base-Backbone interact. energy: -1.518
local terms energy: -258.807509
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -70.953
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1421.180987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.180987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.580987 (E_RNA)
where:
Base-Base interactions energy: -856.237
where: short stacking energy: -355.435
Base-Backbone interact. energy: -2.692
local terms energy: -360.652792
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -75.237
flat angles C4'-P-C4' energy: -81.659
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -97.651
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1352.563159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.563159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.963159 (E_RNA)
where:
Base-Base interactions energy: -827.009
where: short stacking energy: -349.349
Base-Backbone interact. energy: -2.130
local terms energy: -348.825092
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -74.912
flat angles C4'-P-C4' energy: -72.958
flat angles P-C4'-P energy: -44.636
tors. eta vs tors. theta energy: -90.470
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1341.440675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.440675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.040675 (E_RNA)
where:
Base-Base interactions energy: -790.099
where: short stacking energy: -307.723
Base-Backbone interact. energy: -2.586
local terms energy: -363.355743
where:
bonds (distance) C4'-P energy: -73.988
bonds (distance) P-C4' energy: -71.063
flat angles C4'-P-C4' energy: -90.531
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -88.352
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1327.203846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.203846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.603846 (E_RNA)
where:
Base-Base interactions energy: -781.911
where: short stacking energy: -330.435
Base-Backbone interact. energy: -0.289
local terms energy: -343.403920
where:
bonds (distance) C4'-P energy: -58.537
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -76.584
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -91.515
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1238.206866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.206866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.606866 (E_RNA)
where:
Base-Base interactions energy: -741.535
where: short stacking energy: -291.650
Base-Backbone interact. energy: -2.811
local terms energy: -328.260800
where:
bonds (distance) C4'-P energy: -61.727
bonds (distance) P-C4' energy: -64.577
flat angles C4'-P-C4' energy: -71.568
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -78.829
Dist. restrs. and SS energy: -165.600 (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: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1163.711010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.711010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.111010 (E_RNA)
where:
Base-Base interactions energy: -647.697
where: short stacking energy: -250.292
Base-Backbone interact. energy: 0.140
local terms energy: -305.553372
where:
bonds (distance) C4'-P energy: -62.313
bonds (distance) P-C4' energy: -74.915
flat angles C4'-P-C4' energy: -73.947
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -54.101
Dist. restrs. and SS energy: -210.600 (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: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1119.052932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.052932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.052932 (E_RNA)
where:
Base-Base interactions energy: -670.889
where: short stacking energy: -284.177
Base-Backbone interact. energy: -2.440
local terms energy: -292.724015
where:
bonds (distance) C4'-P energy: -55.815
bonds (distance) P-C4' energy: -67.414
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -63.882
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -995.686523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.686523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.486523 (E_RNA)
where:
Base-Base interactions energy: -578.760
where: short stacking energy: -245.961
Base-Backbone interact. energy: 0.934
local terms energy: -257.660461
where:
bonds (distance) C4'-P energy: -37.496
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -68.641
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -61.124
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1009.698744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.698744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.698744 (E_RNA)
where:
Base-Base interactions energy: -576.520
where: short stacking energy: -210.601
Base-Backbone interact. energy: -1.798
local terms energy: -251.380027
where:
bonds (distance) C4'-P energy: -62.979
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -58.948
flat angles P-C4'-P energy: -39.411
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -849.762631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.762631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.962631 (E_RNA)
where:
Base-Base interactions energy: -489.252
where: short stacking energy: -185.985
Base-Backbone interact. energy: 3.827
local terms energy: -209.537108
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -68.832
flat angles C4'-P-C4' energy: -51.491
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1433.490704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.490704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.490704 (E_RNA)
where:
Base-Base interactions energy: -855.410
where: short stacking energy: -346.199
Base-Backbone interact. energy: -3.269
local terms energy: -376.811457
where:
bonds (distance) C4'-P energy: -73.265
bonds (distance) P-C4' energy: -79.976
flat angles C4'-P-C4' energy: -80.810
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -98.998
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1372.563667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.563667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.763667 (E_RNA)
where:
Base-Base interactions energy: -838.691
where: short stacking energy: -342.442
Base-Backbone interact. energy: -0.348
local terms energy: -351.724642
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -74.114
flat angles C4'-P-C4' energy: -82.752
flat angles P-C4'-P energy: -53.548
tors. eta vs tors. theta energy: -83.072
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1333.581897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.981897 (E_RNA)
where:
Base-Base interactions energy: -793.826
where: short stacking energy: -304.350
Base-Backbone interact. energy: -2.054
local terms energy: -336.102335
where:
bonds (distance) C4'-P energy: -62.734
bonds (distance) P-C4' energy: -77.596
flat angles C4'-P-C4' energy: -78.991
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -72.303
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1325.904769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.904769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.904769 (E_RNA)
where:
Base-Base interactions energy: -798.046
where: short stacking energy: -332.154
Base-Backbone interact. energy: 0.398
local terms energy: -348.256079
where:
bonds (distance) C4'-P energy: -72.111
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -98.218
Dist. restrs. and SS energy: -180.000 (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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1213.765677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.765677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.365677 (E_RNA)
where:
Base-Base interactions energy: -732.927
where: short stacking energy: -301.826
Base-Backbone interact. energy: -1.884
local terms energy: -311.555014
where:
bonds (distance) C4'-P energy: -70.307
bonds (distance) P-C4' energy: -66.028
flat angles C4'-P-C4' energy: -67.483
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -71.039
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1141.969310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.969310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.169310 (E_RNA)
where:
Base-Base interactions energy: -616.287
where: short stacking energy: -254.383
Base-Backbone interact. energy: -1.612
local terms energy: -324.270309
where:
bonds (distance) C4'-P energy: -64.292
bonds (distance) P-C4' energy: -78.818
flat angles C4'-P-C4' energy: -70.073
flat angles P-C4'-P energy: -49.661
tors. eta vs tors. theta energy: -61.427
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1050.215541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.215541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.215541 (E_RNA)
where:
Base-Base interactions energy: -608.463
where: short stacking energy: -239.576
Base-Backbone interact. energy: -1.671
local terms energy: -287.082151
where:
bonds (distance) C4'-P energy: -55.616
bonds (distance) P-C4' energy: -65.071
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -47.038
tors. eta vs tors. theta energy: -56.919
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1006.751381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.751381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.951381 (E_RNA)
where:
Base-Base interactions energy: -569.657
where: short stacking energy: -234.042
Base-Backbone interact. energy: 2.207
local terms energy: -275.500758
where:
bonds (distance) C4'-P energy: -65.534
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -50.525
Dist. restrs. and SS energy: -163.800 (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: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1022.896402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.896402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.496402 (E_RNA)
where:
Base-Base interactions energy: -558.902
where: short stacking energy: -209.648
Base-Backbone interact. energy: -1.159
local terms energy: -277.435838
where:
bonds (distance) C4'-P energy: -59.088
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -52.974
tors. eta vs tors. theta energy: -37.668
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -874.273247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.273247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.073247 (E_RNA)
where:
Base-Base interactions energy: -488.739
where: short stacking energy: -209.383
Base-Backbone interact. energy: 1.567
local terms energy: -235.901047
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -61.451
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -38.511
Dist. restrs. and SS energy: -151.200 (S_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: 101
Temperature: 0.900000
Total energy: -1427.822850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.822850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.022850 (E_RNA)
where:
Base-Base interactions energy: -868.419
where: short stacking energy: -366.077
Base-Backbone interact. energy: 0.085
local terms energy: -359.689142
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -72.588
flat angles C4'-P-C4' energy: -65.330
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -100.924
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1385.544669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.544669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.344669 (E_RNA)
where:
Base-Base interactions energy: -825.383
where: short stacking energy: -345.034
Base-Backbone interact. energy: -1.813
local terms energy: -371.148617
where:
bonds (distance) C4'-P energy: -79.153
bonds (distance) P-C4' energy: -72.077
flat angles C4'-P-C4' energy: -77.548
flat angles P-C4'-P energy: -51.402
tors. eta vs tors. theta energy: -90.969
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1321.664448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.664448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.064448 (E_RNA)
where:
Base-Base interactions energy: -761.136
where: short stacking energy: -305.353
Base-Backbone interact. energy: 0.626
local terms energy: -359.554336
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -72.556
flat angles C4'-P-C4' energy: -77.950
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -83.380
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1305.838036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.838036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.438036 (E_RNA)
where:
Base-Base interactions energy: -778.562
where: short stacking energy: -309.397
Base-Backbone interact. energy: 0.328
local terms energy: -342.204421
where:
bonds (distance) C4'-P energy: -64.591
bonds (distance) P-C4' energy: -67.376
flat angles C4'-P-C4' energy: -77.396
flat angles P-C4'-P energy: -46.096
tors. eta vs tors. theta energy: -86.745
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1184.193513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.193513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.993513 (E_RNA)
where:
Base-Base interactions energy: -706.885
where: short stacking energy: -284.912
Base-Backbone interact. energy: 0.168
local terms energy: -308.276867
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -69.256
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -77.684
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1168.979754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.979754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.579754 (E_RNA)
where:
Base-Base interactions energy: -676.424
where: short stacking energy: -255.197
Base-Backbone interact. energy: -2.914
local terms energy: -277.241755
where:
bonds (distance) C4'-P energy: -57.929
bonds (distance) P-C4' energy: -61.067
flat angles C4'-P-C4' energy: -57.457
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -59.560
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1057.022218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.022218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.422218 (E_RNA)
where:
Base-Base interactions energy: -604.986
where: short stacking energy: -238.762
Base-Backbone interact. energy: -1.351
local terms energy: -294.085805
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -74.204
flat angles C4'-P-C4' energy: -66.444
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -59.736
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1023.464055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.464055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.664055 (E_RNA)
where:
Base-Base interactions energy: -578.182
where: short stacking energy: -246.919
Base-Backbone interact. energy: 0.749
local terms energy: -282.231056
where:
bonds (distance) C4'-P energy: -66.363
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -61.830
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -53.453
Dist. restrs. and SS energy: -163.800 (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: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -975.675739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.675739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.075739 (E_RNA)
where:
Base-Base interactions energy: -544.153
where: short stacking energy: -221.855
Base-Backbone interact. energy: 0.341
local terms energy: -266.264433
where:
bonds (distance) C4'-P energy: -70.092
bonds (distance) P-C4' energy: -45.375
flat angles C4'-P-C4' energy: -62.417
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -45.235
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -835.381287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.381287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.181287 (E_RNA)
where:
Base-Base interactions energy: -433.483
where: short stacking energy: -178.934
Base-Backbone interact. energy: 0.586
local terms energy: -251.284279
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -63.177
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: -151.200 (S_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: 102
Temperature: 0.900000
Total energy: -1401.294747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.294747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.094747 (E_RNA)
where:
Base-Base interactions energy: -830.558
where: short stacking energy: -348.182
Base-Backbone interact. energy: -1.857
local terms energy: -372.679783
where:
bonds (distance) C4'-P energy: -63.713
bonds (distance) P-C4' energy: -78.273
flat angles C4'-P-C4' energy: -83.913
flat angles P-C4'-P energy: -49.543
tors. eta vs tors. theta energy: -97.237
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1364.511885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.511885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.911885 (E_RNA)
where:
Base-Base interactions energy: -819.437
where: short stacking energy: -328.117
Base-Backbone interact. energy: -2.377
local terms energy: -350.097762
where:
bonds (distance) C4'-P energy: -67.958
bonds (distance) P-C4' energy: -75.027
flat angles C4'-P-C4' energy: -73.294
flat angles P-C4'-P energy: -48.615
tors. eta vs tors. theta energy: -85.203
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1343.475262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.075262 (E_RNA)
where:
Base-Base interactions energy: -805.948
where: short stacking energy: -328.069
Base-Backbone interact. energy: -1.696
local terms energy: -350.430745
where:
bonds (distance) C4'-P energy: -60.595
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -76.066
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: -88.183
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1292.194911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.194911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.394911 (E_RNA)
where:
Base-Base interactions energy: -767.044
where: short stacking energy: -316.113
Base-Backbone interact. energy: 1.736
local terms energy: -327.086938
where:
bonds (distance) C4'-P energy: -49.279
bonds (distance) P-C4' energy: -69.851
flat angles C4'-P-C4' energy: -75.037
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -75.733
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1204.374700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.374700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.974700 (E_RNA)
where:
Base-Base interactions energy: -695.730
where: short stacking energy: -263.781
Base-Backbone interact. energy: -2.906
local terms energy: -293.339023
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -76.342
flat angles C4'-P-C4' energy: -68.648
flat angles P-C4'-P energy: -38.258
tors. eta vs tors. theta energy: -50.983
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1137.573694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.573694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.773694 (E_RNA)
where:
Base-Base interactions energy: -663.229
where: short stacking energy: -271.123
Base-Backbone interact. energy: -2.485
local terms energy: -308.060420
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -73.498
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -75.001
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1033.960653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.960653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.760653 (E_RNA)
where:
Base-Base interactions energy: -582.321
where: short stacking energy: -238.284
Base-Backbone interact. energy: -2.114
local terms energy: -289.326031
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -71.620
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: -50.089
Dist. restrs. and SS energy: -160.200 (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: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1043.285845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.285845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.285845 (E_RNA)
where:
Base-Base interactions energy: -589.123
where: short stacking energy: -223.452
Base-Backbone interact. energy: -1.475
local terms energy: -299.688323
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -67.205
flat angles C4'-P-C4' energy: -59.328
flat angles P-C4'-P energy: -55.461
tors. eta vs tors. theta energy: -47.601
Dist. restrs. and SS energy: -153.000 (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: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -963.083581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.083581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.083581 (E_RNA)
where:
Base-Base interactions energy: -530.533
where: short stacking energy: -207.090
Base-Backbone interact. energy: 0.920
local terms energy: -262.469749
where:
bonds (distance) C4'-P energy: -58.626
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -59.689
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -38.946
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -903.641443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.641443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.441443 (E_RNA)
where:
Base-Base interactions energy: -496.906
where: short stacking energy: -208.666
Base-Backbone interact. energy: -0.049
local terms energy: -246.485759
where:
bonds (distance) C4'-P energy: -61.096
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -48.393
flat angles P-C4'-P energy: -42.467
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: -160.200 (S_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: 103
Temperature: 0.900000
Total energy: -1405.776942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.776942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.176942 (E_RNA)
where:
Base-Base interactions energy: -831.963
where: short stacking energy: -354.368
Base-Backbone interact. energy: -3.171
local terms energy: -369.042781
where:
bonds (distance) C4'-P energy: -75.986
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -70.597
flat angles P-C4'-P energy: -54.975
tors. eta vs tors. theta energy: -100.127
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1353.279718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.279718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.079718 (E_RNA)
where:
Base-Base interactions energy: -812.596
where: short stacking energy: -321.485
Base-Backbone interact. energy: -2.323
local terms energy: -351.160842
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -72.009
flat angles C4'-P-C4' energy: -66.132
flat angles P-C4'-P energy: -58.392
tors. eta vs tors. theta energy: -84.128
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1362.999593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.999593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.799593 (E_RNA)
where:
Base-Base interactions energy: -788.238
where: short stacking energy: -332.719
Base-Backbone interact. energy: -1.126
local terms energy: -386.436224
where:
bonds (distance) C4'-P energy: -76.019
bonds (distance) P-C4' energy: -77.736
flat angles C4'-P-C4' energy: -84.016
flat angles P-C4'-P energy: -57.599
tors. eta vs tors. theta energy: -91.065
Dist. restrs. and SS energy: -187.200 (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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1305.386905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.386905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.786905 (E_RNA)
where:
Base-Base interactions energy: -804.788
where: short stacking energy: -311.844
Base-Backbone interact. energy: -0.050
local terms energy: -298.949244
where:
bonds (distance) C4'-P energy: -55.728
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -76.163
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1179.385626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.385626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.585626 (E_RNA)
where:
Base-Base interactions energy: -655.712
where: short stacking energy: -269.800
Base-Backbone interact. energy: -2.370
local terms energy: -312.503363
where:
bonds (distance) C4'-P energy: -69.557
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -66.558
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: -63.031
Dist. restrs. and SS energy: -208.800 (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: 103
Temperature: 1.150000
Total energy: -1097.197959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.197959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.197959 (E_RNA)
where:
Base-Base interactions energy: -635.841
where: short stacking energy: -266.971
Base-Backbone interact. energy: 0.463
local terms energy: -308.820001
where:
bonds (distance) C4'-P energy: -59.868
bonds (distance) P-C4' energy: -66.564
flat angles C4'-P-C4' energy: -76.914
flat angles P-C4'-P energy: -42.237
tors. eta vs tors. theta energy: -63.237
Dist. restrs. and SS energy: -153.000 (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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1052.283807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.283807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.683807 (E_RNA)
where:
Base-Base interactions energy: -609.336
where: short stacking energy: -258.497
Base-Backbone interact. energy: -2.649
local terms energy: -283.698652
where:
bonds (distance) C4'-P energy: -59.404
bonds (distance) P-C4' energy: -61.009
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -57.728
Dist. restrs. and SS energy: -156.600 (S_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: 103
Temperature: 1.250000
Total energy: -1052.252717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.252717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.252717 (E_RNA)
where:
Base-Base interactions energy: -595.771
where: short stacking energy: -245.659
Base-Backbone interact. energy: -1.417
local terms energy: -275.064638
where:
bonds (distance) C4'-P energy: -61.382
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -45.688
tors. eta vs tors. theta energy: -47.848
Dist. restrs. and SS energy: -180.000 (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: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1009.629379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.629379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.229379 (E_RNA)
where:
Base-Base interactions energy: -567.108
where: short stacking energy: -234.023
Base-Backbone interact. energy: 2.163
local terms energy: -286.283693
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -56.415
flat angles C4'-P-C4' energy: -70.547
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -54.553
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -899.956151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.956151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.956151 (E_RNA)
where:
Base-Base interactions energy: -514.406
where: short stacking energy: -224.984
Base-Backbone interact. energy: 2.963
local terms energy: -226.512500
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -51.300
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -33.364
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1375.177886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.177886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.777886 (E_RNA)
where:
Base-Base interactions energy: -832.959
where: short stacking energy: -337.785
Base-Backbone interact. energy: -3.045
local terms energy: -353.774016
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -77.852
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -85.691
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1379.334388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.334388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.334388 (E_RNA)
where:
Base-Base interactions energy: -792.773
where: short stacking energy: -324.904
Base-Backbone interact. energy: 1.341
local terms energy: -389.902531
where:
bonds (distance) C4'-P energy: -73.652
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -84.635
flat angles P-C4'-P energy: -59.483
tors. eta vs tors. theta energy: -96.427
Dist. restrs. and SS energy: -198.000 (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: 104
Temperature: 1.000000
Total energy: -1354.738711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.738711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.938711 (E_RNA)
where:
Base-Base interactions energy: -835.985
where: short stacking energy: -314.652
Base-Backbone interact. energy: -0.550
local terms energy: -336.403027
where:
bonds (distance) C4'-P energy: -66.262
bonds (distance) P-C4' energy: -60.290
flat angles C4'-P-C4' energy: -78.338
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -84.716
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1316.740613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.740613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.940613 (E_RNA)
where:
Base-Base interactions energy: -786.681
where: short stacking energy: -304.223
Base-Backbone interact. energy: -1.156
local terms energy: -329.103578
where:
bonds (distance) C4'-P energy: -64.819
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -75.075
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -87.294
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1220.840037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.840037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.840037 (E_RNA)
where:
Base-Base interactions energy: -711.578
where: short stacking energy: -289.647
Base-Backbone interact. energy: -4.538
local terms energy: -288.723930
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -55.963
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -68.154
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1112.421621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.421621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.221621 (E_RNA)
where:
Base-Base interactions energy: -633.255
where: short stacking energy: -264.808
Base-Backbone interact. energy: -2.898
local terms energy: -325.068553
where:
bonds (distance) C4'-P energy: -66.070
bonds (distance) P-C4' energy: -78.789
flat angles C4'-P-C4' energy: -72.459
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -61.072
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1067.655016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.655016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.655016 (E_RNA)
where:
Base-Base interactions energy: -618.531
where: short stacking energy: -266.896
Base-Backbone interact. energy: 4.829
local terms energy: -291.953175
where:
bonds (distance) C4'-P energy: -61.880
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -71.233
flat angles P-C4'-P energy: -42.433
tors. eta vs tors. theta energy: -57.105
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1071.592335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.592335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.792335 (E_RNA)
where:
Base-Base interactions energy: -584.493
where: short stacking energy: -224.429
Base-Backbone interact. energy: -1.798
local terms energy: -294.501315
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -75.017
flat angles P-C4'-P energy: -53.891
tors. eta vs tors. theta energy: -50.570
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -989.366006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.366006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.566006 (E_RNA)
where:
Base-Base interactions energy: -544.741
where: short stacking energy: -215.251
Base-Backbone interact. energy: -0.286
local terms energy: -289.538763
where:
bonds (distance) C4'-P energy: -70.889
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -48.425
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -913.154578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.154578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.554578 (E_RNA)
where:
Base-Base interactions energy: -509.716
where: short stacking energy: -211.555
Base-Backbone interact. energy: 0.949
local terms energy: -238.787783
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1378.134118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.134118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.734118 (E_RNA)
where:
Base-Base interactions energy: -800.668
where: short stacking energy: -336.709
Base-Backbone interact. energy: -0.569
local terms energy: -391.497573
where:
bonds (distance) C4'-P energy: -78.026
bonds (distance) P-C4' energy: -73.587
flat angles C4'-P-C4' energy: -90.482
flat angles P-C4'-P energy: -55.699
tors. eta vs tors. theta energy: -93.704
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1365.713203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.713203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.913203 (E_RNA)
where:
Base-Base interactions energy: -795.996
where: short stacking energy: -340.104
Base-Backbone interact. energy: -3.167
local terms energy: -366.749769
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -85.136
flat angles P-C4'-P energy: -55.564
tors. eta vs tors. theta energy: -90.809
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1352.818205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.818205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.418205 (E_RNA)
where:
Base-Base interactions energy: -805.374
where: short stacking energy: -338.333
Base-Backbone interact. energy: -0.724
local terms energy: -361.320233
where:
bonds (distance) C4'-P energy: -75.690
bonds (distance) P-C4' energy: -65.474
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -49.112
tors. eta vs tors. theta energy: -94.749
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1303.615797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.615797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.815797 (E_RNA)
where:
Base-Base interactions energy: -766.733
where: short stacking energy: -303.247
Base-Backbone interact. energy: -0.149
local terms energy: -336.933535
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -70.243
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -71.261
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1268.356297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.356297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.956297 (E_RNA)
where:
Base-Base interactions energy: -745.181
where: short stacking energy: -315.678
Base-Backbone interact. energy: -0.688
local terms energy: -310.087570
where:
bonds (distance) C4'-P energy: -50.143
bonds (distance) P-C4' energy: -65.109
flat angles C4'-P-C4' energy: -72.939
flat angles P-C4'-P energy: -49.850
tors. eta vs tors. theta energy: -72.046
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1100.299479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.299479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.699479 (E_RNA)
where:
Base-Base interactions energy: -609.245
where: short stacking energy: -265.377
Base-Backbone interact. energy: 0.985
local terms energy: -326.438653
where:
bonds (distance) C4'-P energy: -71.708
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -76.451
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -63.003
Dist. restrs. and SS energy: -165.600 (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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1062.664822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.664822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.464822 (E_RNA)
where:
Base-Base interactions energy: -630.526
where: short stacking energy: -256.823
Base-Backbone interact. energy: -1.394
local terms energy: -279.545306
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -66.324
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -64.516
Dist. restrs. and SS energy: -151.200 (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: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1083.340306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.340306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.740306 (E_RNA)
where:
Base-Base interactions energy: -617.800
where: short stacking energy: -249.153
Base-Backbone interact. energy: -0.533
local terms energy: -272.407945
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -64.136
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -28.038
tors. eta vs tors. theta energy: -54.212
Dist. restrs. and SS energy: -192.600 (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: 105
Temperature: 1.300000
Total energy: -956.416133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.416133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.216133 (E_RNA)
where:
Base-Base interactions energy: -533.273
where: short stacking energy: -204.379
Base-Backbone interact. energy: -2.867
local terms energy: -260.076417
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -74.713
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -895.966866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.966866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.966866 (E_RNA)
where:
Base-Base interactions energy: -489.677
where: short stacking energy: -195.516
Base-Backbone interact. energy: 2.287
local terms energy: -246.577381
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -64.007
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1395.123619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.123619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.723619 (E_RNA)
where:
Base-Base interactions energy: -842.899
where: short stacking energy: -355.351
Base-Backbone interact. energy: -1.584
local terms energy: -365.240946
where:
bonds (distance) C4'-P energy: -75.508
bonds (distance) P-C4' energy: -63.207
flat angles C4'-P-C4' energy: -78.764
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -90.978
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1364.815366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.815366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.015366 (E_RNA)
where:
Base-Base interactions energy: -807.175
where: short stacking energy: -323.863
Base-Backbone interact. energy: -4.449
local terms energy: -353.390971
where:
bonds (distance) C4'-P energy: -66.478
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -69.722
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -87.672
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1358.751867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.751867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.151867 (E_RNA)
where:
Base-Base interactions energy: -824.283
where: short stacking energy: -346.932
Base-Backbone interact. energy: 2.507
local terms energy: -353.376317
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -68.656
flat angles C4'-P-C4' energy: -75.554
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -96.774
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1306.356708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.356708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.356708 (E_RNA)
where:
Base-Base interactions energy: -770.105
where: short stacking energy: -307.068
Base-Backbone interact. energy: 0.193
local terms energy: -338.444947
where:
bonds (distance) C4'-P energy: -68.677
bonds (distance) P-C4' energy: -72.381
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1244.989852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.989852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.189852 (E_RNA)
where:
Base-Base interactions energy: -722.550
where: short stacking energy: -286.957
Base-Backbone interact. energy: -1.230
local terms energy: -312.410232
where:
bonds (distance) C4'-P energy: -81.239
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -65.808
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -62.020
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1113.788748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.788748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.188748 (E_RNA)
where:
Base-Base interactions energy: -619.031
where: short stacking energy: -256.058
Base-Backbone interact. energy: -1.576
local terms energy: -327.581651
where:
bonds (distance) C4'-P energy: -72.319
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -47.882
tors. eta vs tors. theta energy: -65.830
Dist. restrs. and SS energy: -165.600 (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: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1091.443921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.443921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.843921 (E_RNA)
where:
Base-Base interactions energy: -621.805
where: short stacking energy: -242.809
Base-Backbone interact. energy: -2.396
local terms energy: -265.643047
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -40.625
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1060.936683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.936683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.536683 (E_RNA)
where:
Base-Base interactions energy: -612.470
where: short stacking energy: -262.356
Base-Backbone interact. energy: 1.059
local terms energy: -300.125835
where:
bonds (distance) C4'-P energy: -70.906
bonds (distance) P-C4' energy: -54.740
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -57.668
Dist. restrs. and SS energy: -149.400 (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: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1016.536556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.536556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.336556 (E_RNA)
where:
Base-Base interactions energy: -559.271
where: short stacking energy: -203.892
Base-Backbone interact. energy: -2.022
local terms energy: -268.044352
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -38.728
Dist. restrs. and SS energy: -187.200 (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: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -873.508230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.508230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.908230 (E_RNA)
where:
Base-Base interactions energy: -475.870
where: short stacking energy: -204.962
Base-Backbone interact. energy: -4.139
local terms energy: -245.898335
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1412.014439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.014439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.414439 (E_RNA)
where:
Base-Base interactions energy: -856.892
where: short stacking energy: -368.313
Base-Backbone interact. energy: -1.138
local terms energy: -370.385227
where:
bonds (distance) C4'-P energy: -65.651
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -96.005
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1369.314052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.314052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.114052 (E_RNA)
where:
Base-Base interactions energy: -809.383
where: short stacking energy: -338.993
Base-Backbone interact. energy: -1.390
local terms energy: -371.341270
where:
bonds (distance) C4'-P energy: -74.916
bonds (distance) P-C4' energy: -74.959
flat angles C4'-P-C4' energy: -79.013
flat angles P-C4'-P energy: -50.184
tors. eta vs tors. theta energy: -92.270
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1350.806254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.806254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.006254 (E_RNA)
where:
Base-Base interactions energy: -789.411
where: short stacking energy: -326.559
Base-Backbone interact. energy: 0.333
local terms energy: -361.928312
where:
bonds (distance) C4'-P energy: -77.269
bonds (distance) P-C4' energy: -74.996
flat angles C4'-P-C4' energy: -77.199
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: -86.181
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1303.879070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.879070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.479070 (E_RNA)
where:
Base-Base interactions energy: -774.301
where: short stacking energy: -320.795
Base-Backbone interact. energy: -1.367
local terms energy: -333.810908
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -87.092
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1243.111533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.111533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.511533 (E_RNA)
where:
Base-Base interactions energy: -730.579
where: short stacking energy: -282.696
Base-Backbone interact. energy: 1.041
local terms energy: -302.973371
where:
bonds (distance) C4'-P energy: -72.685
bonds (distance) P-C4' energy: -62.002
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -62.007
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1126.860604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.860604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.860604 (E_RNA)
where:
Base-Base interactions energy: -651.071
where: short stacking energy: -280.323
Base-Backbone interact. energy: -0.167
local terms energy: -313.622502
where:
bonds (distance) C4'-P energy: -62.009
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -65.221
flat angles P-C4'-P energy: -47.255
tors. eta vs tors. theta energy: -71.480
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1086.523698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.523698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.923698 (E_RNA)
where:
Base-Base interactions energy: -617.932
where: short stacking energy: -230.777
Base-Backbone interact. energy: -2.691
local terms energy: -273.300425
where:
bonds (distance) C4'-P energy: -58.081
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -61.509
flat angles P-C4'-P energy: -36.551
tors. eta vs tors. theta energy: -60.094
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1055.069524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.069524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.269524 (E_RNA)
where:
Base-Base interactions energy: -632.549
where: short stacking energy: -253.234
Base-Backbone interact. energy: -1.807
local terms energy: -265.912984
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -58.774
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -998.961702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.961702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.961702 (E_RNA)
where:
Base-Base interactions energy: -580.131
where: short stacking energy: -228.389
Base-Backbone interact. energy: 3.221
local terms energy: -233.051016
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -60.987
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -879.707040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.707040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.907040 (E_RNA)
where:
Base-Base interactions energy: -481.869
where: short stacking energy: -200.491
Base-Backbone interact. energy: -1.887
local terms energy: -250.151190
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -71.732
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1413.741122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.741122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.341122 (E_RNA)
where:
Base-Base interactions energy: -850.658
where: short stacking energy: -346.288
Base-Backbone interact. energy: -4.061
local terms energy: -373.621823
where:
bonds (distance) C4'-P energy: -70.380
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -51.908
tors. eta vs tors. theta energy: -95.487
Dist. restrs. and SS energy: -185.400 (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: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1366.890510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.890510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.490510 (E_RNA)
where:
Base-Base interactions energy: -789.678
where: short stacking energy: -341.730
Base-Backbone interact. energy: -2.518
local terms energy: -389.294770
where:
bonds (distance) C4'-P energy: -67.744
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -88.666
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -101.048
Dist. restrs. and SS energy: -185.400 (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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1345.884155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.884155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.484155 (E_RNA)
where:
Base-Base interactions energy: -805.256
where: short stacking energy: -337.283
Base-Backbone interact. energy: -1.979
local terms energy: -344.248842
where:
bonds (distance) C4'-P energy: -71.298
bonds (distance) P-C4' energy: -63.453
flat angles C4'-P-C4' energy: -68.960
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -98.539
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1346.109445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.109445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.309445 (E_RNA)
where:
Base-Base interactions energy: -786.541
where: short stacking energy: -323.772
Base-Backbone interact. energy: -3.074
local terms energy: -356.694341
where:
bonds (distance) C4'-P energy: -73.049
bonds (distance) P-C4' energy: -71.897
flat angles C4'-P-C4' energy: -74.433
flat angles P-C4'-P energy: -51.055
tors. eta vs tors. theta energy: -86.260
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1236.003223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.003223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.403223 (E_RNA)
where:
Base-Base interactions energy: -714.350
where: short stacking energy: -267.832
Base-Backbone interact. energy: 0.282
local terms energy: -311.335296
where:
bonds (distance) C4'-P energy: -71.942
bonds (distance) P-C4' energy: -67.770
flat angles C4'-P-C4' energy: -66.797
flat angles P-C4'-P energy: -47.760
tors. eta vs tors. theta energy: -57.066
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1107.668636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.668636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.468636 (E_RNA)
where:
Base-Base interactions energy: -636.530
where: short stacking energy: -264.769
Base-Backbone interact. energy: -2.556
local terms energy: -308.382683
where:
bonds (distance) C4'-P energy: -70.048
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -71.742
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1113.138500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.138500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.938500 (E_RNA)
where:
Base-Base interactions energy: -615.821
where: short stacking energy: -247.703
Base-Backbone interact. energy: 1.832
local terms energy: -311.949584
where:
bonds (distance) C4'-P energy: -70.482
bonds (distance) P-C4' energy: -70.389
flat angles C4'-P-C4' energy: -73.015
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -59.406
Dist. restrs. and SS energy: -187.200 (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: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1073.785832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.785832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.985832 (E_RNA)
where:
Base-Base interactions energy: -632.148
where: short stacking energy: -267.764
Base-Backbone interact. energy: 5.991
local terms energy: -292.828603
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -74.649
flat angles C4'-P-C4' energy: -59.041
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -66.419
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -985.684426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.684426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.084426 (E_RNA)
where:
Base-Base interactions energy: -556.170
where: short stacking energy: -221.340
Base-Backbone interact. energy: 1.345
local terms energy: -238.258763
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -44.374
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -892.582369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.582369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.582369 (E_RNA)
where:
Base-Base interactions energy: -479.704
where: short stacking energy: -193.959
Base-Backbone interact. energy: 0.054
local terms energy: -259.932455
where:
bonds (distance) C4'-P energy: -61.458
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -71.223
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -32.763
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1395.416833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.416833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.416833 (E_RNA)
where:
Base-Base interactions energy: -830.798
where: short stacking energy: -337.026
Base-Backbone interact. energy: -1.639
local terms energy: -373.979047
where:
bonds (distance) C4'-P energy: -70.196
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -76.312
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -98.046
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1334.483552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.483552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.483552 (E_RNA)
where:
Base-Base interactions energy: -787.344
where: short stacking energy: -335.671
Base-Backbone interact. energy: -2.295
local terms energy: -346.843770
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -74.383
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -80.781
Dist. restrs. and SS energy: -198.000 (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: 109
Temperature: 1.000000
Total energy: -1341.465747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.465747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.865747 (E_RNA)
where:
Base-Base interactions energy: -814.189
where: short stacking energy: -323.887
Base-Backbone interact. energy: 0.474
local terms energy: -344.150187
where:
bonds (distance) C4'-P energy: -63.546
bonds (distance) P-C4' energy: -67.863
flat angles C4'-P-C4' energy: -82.335
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -86.131
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1335.790488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.790488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.390488 (E_RNA)
where:
Base-Base interactions energy: -797.637
where: short stacking energy: -324.255
Base-Backbone interact. energy: -2.529
local terms energy: -332.224070
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -63.481
flat angles C4'-P-C4' energy: -70.376
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -81.838
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1281.823927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.823927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.423927 (E_RNA)
where:
Base-Base interactions energy: -745.949
where: short stacking energy: -308.288
Base-Backbone interact. energy: -1.967
local terms energy: -321.507982
where:
bonds (distance) C4'-P energy: -57.427
bonds (distance) P-C4' energy: -81.153
flat angles C4'-P-C4' energy: -65.986
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -71.538
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1128.519261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.519261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.719261 (E_RNA)
where:
Base-Base interactions energy: -650.839
where: short stacking energy: -293.478
Base-Backbone interact. energy: -1.506
local terms energy: -312.374965
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -58.001
flat angles C4'-P-C4' energy: -67.950
flat angles P-C4'-P energy: -51.618
tors. eta vs tors. theta energy: -74.725
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1127.719503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.719503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.119503 (E_RNA)
where:
Base-Base interactions energy: -641.492
where: short stacking energy: -248.279
Base-Backbone interact. energy: -1.869
local terms energy: -291.758776
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: -72.977
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1069.897354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.097354 (E_RNA)
where:
Base-Base interactions energy: -592.718
where: short stacking energy: -243.317
Base-Backbone interact. energy: -3.078
local terms energy: -310.301398
where:
bonds (distance) C4'-P energy: -64.805
bonds (distance) P-C4' energy: -68.748
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -45.861
tors. eta vs tors. theta energy: -62.460
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1021.621681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.621681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.421681 (E_RNA)
where:
Base-Base interactions energy: -572.980
where: short stacking energy: -216.562
Base-Backbone interact. energy: 1.510
local terms energy: -253.951411
where:
bonds (distance) C4'-P energy: -57.333
bonds (distance) P-C4' energy: -55.852
flat angles C4'-P-C4' energy: -54.944
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -43.893
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -897.793246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.793246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.393246 (E_RNA)
where:
Base-Base interactions energy: -496.539
where: short stacking energy: -209.723
Base-Backbone interact. energy: -0.342
local terms energy: -251.512153
where:
bonds (distance) C4'-P energy: -78.215
bonds (distance) P-C4' energy: -60.393
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -38.348
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1430.140370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.140370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.940370 (E_RNA)
where:
Base-Base interactions energy: -861.713
where: short stacking energy: -362.614
Base-Backbone interact. energy: -0.034
local terms energy: -381.192682
where:
bonds (distance) C4'-P energy: -74.305
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -86.422
flat angles P-C4'-P energy: -49.690
tors. eta vs tors. theta energy: -97.788
Dist. restrs. and SS energy: -187.200 (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: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1352.739003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.739003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.939003 (E_RNA)
where:
Base-Base interactions energy: -783.560
where: short stacking energy: -325.401
Base-Backbone interact. energy: -2.337
local terms energy: -367.042432
where:
bonds (distance) C4'-P energy: -69.587
bonds (distance) P-C4' energy: -74.242
flat angles C4'-P-C4' energy: -77.920
flat angles P-C4'-P energy: -51.723
tors. eta vs tors. theta energy: -93.571
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1362.011248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.011248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.011248 (E_RNA)
where:
Base-Base interactions energy: -804.039
where: short stacking energy: -321.474
Base-Backbone interact. energy: -2.075
local terms energy: -357.897852
where:
bonds (distance) C4'-P energy: -73.540
bonds (distance) P-C4' energy: -71.396
flat angles C4'-P-C4' energy: -82.094
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -86.466
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1286.937822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.937822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.537822 (E_RNA)
where:
Base-Base interactions energy: -755.090
where: short stacking energy: -295.167
Base-Backbone interact. energy: 3.708
local terms energy: -350.155769
where:
bonds (distance) C4'-P energy: -75.067
bonds (distance) P-C4' energy: -73.268
flat angles C4'-P-C4' energy: -76.629
flat angles P-C4'-P energy: -42.925
tors. eta vs tors. theta energy: -82.267
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1280.222727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.222727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.022727 (E_RNA)
where:
Base-Base interactions energy: -746.421
where: short stacking energy: -293.619
Base-Backbone interact. energy: -0.335
local terms energy: -319.267417
where:
bonds (distance) C4'-P energy: -65.223
bonds (distance) P-C4' energy: -67.406
flat angles C4'-P-C4' energy: -71.240
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -72.020
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1139.519659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.519659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.519659 (E_RNA)
where:
Base-Base interactions energy: -674.367
where: short stacking energy: -275.238
Base-Backbone interact. energy: -2.147
local terms energy: -301.005586
where:
bonds (distance) C4'-P energy: -70.733
bonds (distance) P-C4' energy: -50.459
flat angles C4'-P-C4' energy: -63.345
flat angles P-C4'-P energy: -45.683
tors. eta vs tors. theta energy: -70.785
Dist. restrs. and SS energy: -162.000 (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: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1085.237526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.237526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.237526 (E_RNA)
where:
Base-Base interactions energy: -618.901
where: short stacking energy: -245.210
Base-Backbone interact. energy: -3.380
local terms energy: -291.956230
where:
bonds (distance) C4'-P energy: -67.799
bonds (distance) P-C4' energy: -55.389
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -62.932
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1118.918014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.918014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.318014 (E_RNA)
where:
Base-Base interactions energy: -641.471
where: short stacking energy: -250.099
Base-Backbone interact. energy: -1.068
local terms energy: -283.778808
where:
bonds (distance) C4'-P energy: -67.036
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -55.569
Dist. restrs. and SS energy: -192.600 (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: 110
Temperature: 1.300000
Total energy: -1039.738324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.738324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.338324 (E_RNA)
where:
Base-Base interactions energy: -575.958
where: short stacking energy: -224.196
Base-Backbone interact. energy: -0.872
local terms energy: -268.508062
where:
bonds (distance) C4'-P energy: -65.522
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -46.426
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -901.415279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.415279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.015279 (E_RNA)
where:
Base-Base interactions energy: -515.744
where: short stacking energy: -220.561
Base-Backbone interact. energy: -0.103
local terms energy: -236.167979
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -51.938
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -31.986
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1409.851124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.851124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.851124 (E_RNA)
where:
Base-Base interactions energy: -837.138
where: short stacking energy: -360.839
Base-Backbone interact. energy: -3.455
local terms energy: -380.258591
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -72.956
flat angles C4'-P-C4' energy: -83.625
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -99.777
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1339.918093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.918093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.118093 (E_RNA)
where:
Base-Base interactions energy: -777.068
where: short stacking energy: -331.068
Base-Backbone interact. energy: -3.116
local terms energy: -359.933512
where:
bonds (distance) C4'-P energy: -69.239
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -77.974
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -99.923
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1354.342812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.342812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.942812 (E_RNA)
where:
Base-Base interactions energy: -808.223
where: short stacking energy: -324.465
Base-Backbone interact. energy: -0.126
local terms energy: -342.594074
where:
bonds (distance) C4'-P energy: -69.533
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -83.733
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -78.728
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1292.105934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.105934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.905934 (E_RNA)
where:
Base-Base interactions energy: -770.755
where: short stacking energy: -302.524
Base-Backbone interact. energy: -0.518
local terms energy: -333.632923
where:
bonds (distance) C4'-P energy: -68.080
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -71.014
flat angles P-C4'-P energy: -48.605
tors. eta vs tors. theta energy: -82.920
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1284.730313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.730313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.930313 (E_RNA)
where:
Base-Base interactions energy: -760.818
where: short stacking energy: -292.398
Base-Backbone interact. energy: -2.137
local terms energy: -312.975678
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -70.911
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -67.518
Dist. restrs. and SS energy: -208.800 (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: 111
Temperature: 1.150000
Total energy: -1121.860560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.860560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.860560 (E_RNA)
where:
Base-Base interactions energy: -644.212
where: short stacking energy: -268.881
Base-Backbone interact. energy: -2.714
local terms energy: -312.935438
where:
bonds (distance) C4'-P energy: -61.578
bonds (distance) P-C4' energy: -65.007
flat angles C4'-P-C4' energy: -77.044
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: -64.976
Dist. restrs. and SS energy: -162.000 (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: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1116.263840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.263840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.263840 (E_RNA)
where:
Base-Base interactions energy: -647.586
where: short stacking energy: -263.342
Base-Backbone interact. energy: 0.423
local terms energy: -307.100813
where:
bonds (distance) C4'-P energy: -60.776
bonds (distance) P-C4' energy: -60.420
flat angles C4'-P-C4' energy: -79.913
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -59.877
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1115.149782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.149782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.149782 (E_RNA)
where:
Base-Base interactions energy: -628.002
where: short stacking energy: -256.668
Base-Backbone interact. energy: 0.599
local terms energy: -298.747280
where:
bonds (distance) C4'-P energy: -58.054
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -45.956
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: -189.000 (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: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1035.096306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.096306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.896306 (E_RNA)
where:
Base-Base interactions energy: -582.199
where: short stacking energy: -230.323
Base-Backbone interact. energy: 0.523
local terms energy: -266.220131
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -53.824
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: -187.200 (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: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -888.631971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.631971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.431971 (E_RNA)
where:
Base-Base interactions energy: -500.193
where: short stacking energy: -195.100
Base-Backbone interact. energy: 3.368
local terms energy: -249.607326
where:
bonds (distance) C4'-P energy: -47.015
bonds (distance) P-C4' energy: -58.280
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -54.265
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: -142.200 (S_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: 112
Temperature: 0.900000
Total energy: -1413.177041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.177041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.377041 (E_RNA)
where:
Base-Base interactions energy: -824.705
where: short stacking energy: -349.148
Base-Backbone interact. energy: -2.417
local terms energy: -386.255096
where:
bonds (distance) C4'-P energy: -71.548
bonds (distance) P-C4' energy: -82.063
flat angles C4'-P-C4' energy: -81.773
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -96.828
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1385.779996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.779996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.779996 (E_RNA)
where:
Base-Base interactions energy: -819.678
where: short stacking energy: -324.697
Base-Backbone interact. energy: -3.893
local terms energy: -373.209198
where:
bonds (distance) C4'-P energy: -78.324
bonds (distance) P-C4' energy: -69.565
flat angles C4'-P-C4' energy: -83.232
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -94.752
Dist. restrs. and SS energy: -189.000 (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: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1372.266530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.266530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.666530 (E_RNA)
where:
Base-Base interactions energy: -814.879
where: short stacking energy: -332.748
Base-Backbone interact. energy: -1.541
local terms energy: -354.245689
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -73.982
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -51.926
tors. eta vs tors. theta energy: -91.003
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1286.763115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.763115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.963115 (E_RNA)
where:
Base-Base interactions energy: -755.757
where: short stacking energy: -294.150
Base-Backbone interact. energy: 0.979
local terms energy: -350.185123
where:
bonds (distance) C4'-P energy: -74.927
bonds (distance) P-C4' energy: -72.356
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -83.051
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1266.404194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.404194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.804194 (E_RNA)
where:
Base-Base interactions energy: -722.626
where: short stacking energy: -283.055
Base-Backbone interact. energy: 0.767
local terms energy: -333.945637
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -64.498
flat angles C4'-P-C4' energy: -81.497
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: -71.865
Dist. restrs. and SS energy: -210.600 (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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1163.698563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.698563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.898563 (E_RNA)
where:
Base-Base interactions energy: -673.150
where: short stacking energy: -285.481
Base-Backbone interact. energy: 0.315
local terms energy: -327.063857
where:
bonds (distance) C4'-P energy: -66.665
bonds (distance) P-C4' energy: -64.718
flat angles C4'-P-C4' energy: -68.622
flat angles P-C4'-P energy: -51.594
tors. eta vs tors. theta energy: -75.465
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1163.966098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.966098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.166098 (E_RNA)
where:
Base-Base interactions energy: -664.821
where: short stacking energy: -263.630
Base-Backbone interact. energy: -2.805
local terms energy: -287.539533
where:
bonds (distance) C4'-P energy: -50.725
bonds (distance) P-C4' energy: -64.706
flat angles C4'-P-C4' energy: -67.890
flat angles P-C4'-P energy: -43.300
tors. eta vs tors. theta energy: -60.918
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1005.216477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.216477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.416477 (E_RNA)
where:
Base-Base interactions energy: -551.152
where: short stacking energy: -227.766
Base-Backbone interact. energy: 1.538
local terms energy: -291.802472
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -69.210
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -55.431
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1070.725870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.725870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.325870 (E_RNA)
where:
Base-Base interactions energy: -609.791
where: short stacking energy: -248.891
Base-Backbone interact. energy: 1.286
local terms energy: -276.820640
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -58.555
flat angles C4'-P-C4' energy: -76.153
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -884.870255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.870255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.870255 (E_RNA)
where:
Base-Base interactions energy: -513.202
where: short stacking energy: -212.342
Base-Backbone interact. energy: 0.826
local terms energy: -228.494405
where:
bonds (distance) C4'-P energy: -44.563
bonds (distance) P-C4' energy: -64.882
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1421.456156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.456156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.456156 (E_RNA)
where:
Base-Base interactions energy: -838.442
where: short stacking energy: -347.024
Base-Backbone interact. energy: -1.733
local terms energy: -383.280957
where:
bonds (distance) C4'-P energy: -80.649
bonds (distance) P-C4' energy: -77.249
flat angles C4'-P-C4' energy: -76.203
flat angles P-C4'-P energy: -53.672
tors. eta vs tors. theta energy: -95.508
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1396.859638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.859638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.059638 (E_RNA)
where:
Base-Base interactions energy: -835.794
where: short stacking energy: -337.501
Base-Backbone interact. energy: -1.366
local terms energy: -359.900045
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -81.367
flat angles C4'-P-C4' energy: -80.450
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -89.185
Dist. restrs. and SS energy: -199.800 (S_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: 113
Temperature: 1.000000
Total energy: -1381.879575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.879575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.479575 (E_RNA)
where:
Base-Base interactions energy: -822.618
where: short stacking energy: -331.564
Base-Backbone interact. energy: -0.850
local terms energy: -373.011394
where:
bonds (distance) C4'-P energy: -77.825
bonds (distance) P-C4' energy: -73.447
flat angles C4'-P-C4' energy: -81.297
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -90.210
Dist. restrs. and SS energy: -185.400 (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: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1285.347519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.347519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.547519 (E_RNA)
where:
Base-Base interactions energy: -769.620
where: short stacking energy: -301.617
Base-Backbone interact. energy: -3.643
local terms energy: -330.284426
where:
bonds (distance) C4'-P energy: -54.050
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -73.831
flat angles P-C4'-P energy: -48.226
tors. eta vs tors. theta energy: -84.655
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1264.444867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.444867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.844867 (E_RNA)
where:
Base-Base interactions energy: -732.399
where: short stacking energy: -303.817
Base-Backbone interact. energy: 0.259
local terms energy: -321.704445
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -65.832
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -79.605
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1228.289168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.289168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.689168 (E_RNA)
where:
Base-Base interactions energy: -691.794
where: short stacking energy: -265.821
Base-Backbone interact. energy: -1.558
local terms energy: -324.336855
where:
bonds (distance) C4'-P energy: -77.034
bonds (distance) P-C4' energy: -60.514
flat angles C4'-P-C4' energy: -73.264
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -66.805
Dist. restrs. and SS energy: -210.600 (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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1090.527550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.527550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.527550 (E_RNA)
where:
Base-Base interactions energy: -614.937
where: short stacking energy: -258.898
Base-Backbone interact. energy: -0.308
local terms energy: -313.282425
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -44.505
tors. eta vs tors. theta energy: -61.804
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1094.334261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.334261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.134261 (E_RNA)
where:
Base-Base interactions energy: -626.834
where: short stacking energy: -244.058
Base-Backbone interact. energy: 1.667
local terms energy: -272.966590
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -52.331
flat angles C4'-P-C4' energy: -67.530
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -52.380
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -960.448269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.448269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.448269 (E_RNA)
where:
Base-Base interactions energy: -534.955
where: short stacking energy: -223.378
Base-Backbone interact. energy: -2.182
local terms energy: -261.311108
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -71.998
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -41.560
tors. eta vs tors. theta energy: -45.855
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -874.885262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.885262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.285262 (E_RNA)
where:
Base-Base interactions energy: -458.016
where: short stacking energy: -190.683
Base-Backbone interact. energy: 2.132
local terms energy: -271.401313
where:
bonds (distance) C4'-P energy: -66.549
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -70.217
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -30.975
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1400.049189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.049189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.449189 (E_RNA)
where:
Base-Base interactions energy: -833.705
where: short stacking energy: -363.058
Base-Backbone interact. energy: -1.477
local terms energy: -363.267333
where:
bonds (distance) C4'-P energy: -72.574
bonds (distance) P-C4' energy: -75.255
flat angles C4'-P-C4' energy: -75.077
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -97.172
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1404.319359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.319359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.719359 (E_RNA)
where:
Base-Base interactions energy: -833.178
where: short stacking energy: -333.726
Base-Backbone interact. energy: -1.663
local terms energy: -367.878112
where:
bonds (distance) C4'-P energy: -80.581
bonds (distance) P-C4' energy: -75.274
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -83.269
Dist. restrs. and SS energy: -201.600 (S_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: 114
Temperature: 1.000000
Total energy: -1355.959181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.959181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.559181 (E_RNA)
where:
Base-Base interactions energy: -809.618
where: short stacking energy: -340.718
Base-Backbone interact. energy: -0.535
local terms energy: -360.405960
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -67.706
flat angles C4'-P-C4' energy: -76.995
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -90.969
Dist. restrs. and SS energy: -185.400 (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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1277.348650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.348650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.548650 (E_RNA)
where:
Base-Base interactions energy: -755.700
where: short stacking energy: -313.300
Base-Backbone interact. energy: -0.162
local terms energy: -339.687471
where:
bonds (distance) C4'-P energy: -57.133
bonds (distance) P-C4' energy: -71.581
flat angles C4'-P-C4' energy: -81.459
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -79.355
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1261.801697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.801697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.001697 (E_RNA)
where:
Base-Base interactions energy: -731.040
where: short stacking energy: -310.258
Base-Backbone interact. energy: -3.363
local terms energy: -318.598409
where:
bonds (distance) C4'-P energy: -67.529
bonds (distance) P-C4' energy: -57.965
flat angles C4'-P-C4' energy: -77.537
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -72.200
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1251.654776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.654776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.454776 (E_RNA)
where:
Base-Base interactions energy: -722.385
where: short stacking energy: -294.187
Base-Backbone interact. energy: 0.522
local terms energy: -315.591542
where:
bonds (distance) C4'-P energy: -54.673
bonds (distance) P-C4' energy: -72.843
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -50.462
tors. eta vs tors. theta energy: -66.579
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1153.247745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.247745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.447745 (E_RNA)
where:
Base-Base interactions energy: -662.792
where: short stacking energy: -259.707
Base-Backbone interact. energy: -0.985
local terms energy: -289.671332
where:
bonds (distance) C4'-P energy: -60.217
bonds (distance) P-C4' energy: -68.217
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -61.796
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1064.388364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.388364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.988364 (E_RNA)
where:
Base-Base interactions energy: -609.966
where: short stacking energy: -256.068
Base-Backbone interact. energy: -4.897
local terms energy: -291.125373
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -69.832
flat angles C4'-P-C4' energy: -59.982
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -65.086
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -951.746635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.746635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.746635 (E_RNA)
where:
Base-Base interactions energy: -519.858
where: short stacking energy: -202.583
Base-Backbone interact. energy: 3.557
local terms energy: -273.445699
where:
bonds (distance) C4'-P energy: -61.986
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -78.293
flat angles P-C4'-P energy: -32.611
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -873.048526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.048526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.448526 (E_RNA)
where:
Base-Base interactions energy: -464.513
where: short stacking energy: -184.671
Base-Backbone interact. energy: 1.411
local terms energy: -262.346097
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -61.712
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -25.900
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1397.996575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.996575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.796575 (E_RNA)
where:
Base-Base interactions energy: -823.711
where: short stacking energy: -355.219
Base-Backbone interact. energy: -1.264
local terms energy: -376.821560
where:
bonds (distance) C4'-P energy: -70.594
bonds (distance) P-C4' energy: -81.058
flat angles C4'-P-C4' energy: -73.216
flat angles P-C4'-P energy: -57.090
tors. eta vs tors. theta energy: -94.864
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1405.185788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.185788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.585788 (E_RNA)
where:
Base-Base interactions energy: -832.773
where: short stacking energy: -342.525
Base-Backbone interact. energy: 0.472
local terms energy: -371.284272
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -75.998
flat angles C4'-P-C4' energy: -85.387
flat angles P-C4'-P energy: -48.820
tors. eta vs tors. theta energy: -90.352
Dist. restrs. and SS energy: -201.600 (S_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: 115
Temperature: 1.000000
Total energy: -1369.320794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.320794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.120794 (E_RNA)
where:
Base-Base interactions energy: -807.350
where: short stacking energy: -335.151
Base-Backbone interact. energy: -3.315
local terms energy: -371.455430
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -74.618
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -53.477
tors. eta vs tors. theta energy: -90.989
Dist. restrs. and SS energy: -187.200 (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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1320.847152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.847152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.647152 (E_RNA)
where:
Base-Base interactions energy: -782.297
where: short stacking energy: -314.709
Base-Backbone interact. energy: -1.289
local terms energy: -323.060649
where:
bonds (distance) C4'-P energy: -60.526
bonds (distance) P-C4' energy: -74.453
flat angles C4'-P-C4' energy: -63.523
flat angles P-C4'-P energy: -43.615
tors. eta vs tors. theta energy: -80.944
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1221.944411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.944411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.344411 (E_RNA)
where:
Base-Base interactions energy: -720.392
where: short stacking energy: -302.494
Base-Backbone interact. energy: 1.143
local terms energy: -319.095979
where:
bonds (distance) C4'-P energy: -74.136
bonds (distance) P-C4' energy: -69.596
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -64.955
Dist. restrs. and SS energy: -183.600 (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: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1207.183810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.183810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.383810 (E_RNA)
where:
Base-Base interactions energy: -691.002
where: short stacking energy: -279.358
Base-Backbone interact. energy: 4.915
local terms energy: -321.296392
where:
bonds (distance) C4'-P energy: -51.821
bonds (distance) P-C4' energy: -74.130
flat angles C4'-P-C4' energy: -74.948
flat angles P-C4'-P energy: -55.164
tors. eta vs tors. theta energy: -65.233
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1163.684746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.684746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.284746 (E_RNA)
where:
Base-Base interactions energy: -663.540
where: short stacking energy: -250.244
Base-Backbone interact. energy: 3.689
local terms energy: -291.434381
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -66.107
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: -58.623
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1063.596760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.796760 (E_RNA)
where:
Base-Base interactions energy: -611.838
where: short stacking energy: -258.255
Base-Backbone interact. energy: 8.573
local terms energy: -296.531790
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -69.132
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -38.861
tors. eta vs tors. theta energy: -57.286
Dist. restrs. and SS energy: -163.800 (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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -957.773563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.773563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.173563 (E_RNA)
where:
Base-Base interactions energy: -537.507
where: short stacking energy: -222.228
Base-Backbone interact. energy: -0.621
local terms energy: -263.046174
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -60.293
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -50.204
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -879.929658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.929658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.529658 (E_RNA)
where:
Base-Base interactions energy: -469.545
where: short stacking energy: -175.012
Base-Backbone interact. energy: -1.061
local terms energy: -259.924457
where:
bonds (distance) C4'-P energy: -75.474
bonds (distance) P-C4' energy: -70.391
flat angles C4'-P-C4' energy: -61.442
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1417.639756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.639756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.639756 (E_RNA)
where:
Base-Base interactions energy: -862.817
where: short stacking energy: -341.146
Base-Backbone interact. energy: -0.125
local terms energy: -356.697516
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -76.028
flat angles P-C4'-P energy: -55.043
tors. eta vs tors. theta energy: -87.449
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1363.023109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.023109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.223109 (E_RNA)
where:
Base-Base interactions energy: -791.087
where: short stacking energy: -341.131
Base-Backbone interact. energy: -2.552
local terms energy: -369.583846
where:
bonds (distance) C4'-P energy: -62.227
bonds (distance) P-C4' energy: -81.872
flat angles C4'-P-C4' energy: -76.416
flat angles P-C4'-P energy: -60.088
tors. eta vs tors. theta energy: -88.980
Dist. restrs. and SS energy: -199.800 (S_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: 116
Temperature: 1.000000
Total energy: -1346.638055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.638055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.838055 (E_RNA)
where:
Base-Base interactions energy: -819.409
where: short stacking energy: -337.432
Base-Backbone interact. energy: -1.724
local terms energy: -343.705144
where:
bonds (distance) C4'-P energy: -73.569
bonds (distance) P-C4' energy: -61.466
flat angles C4'-P-C4' energy: -69.605
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -86.580
Dist. restrs. and SS energy: -181.800 (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: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1331.252031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.252031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.052031 (E_RNA)
where:
Base-Base interactions energy: -777.070
where: short stacking energy: -305.692
Base-Backbone interact. energy: -1.329
local terms energy: -338.652427
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -70.627
flat angles C4'-P-C4' energy: -81.838
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1251.458962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.458962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.058962 (E_RNA)
where:
Base-Base interactions energy: -720.654
where: short stacking energy: -285.542
Base-Backbone interact. energy: -2.219
local terms energy: -316.185497
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -69.721
flat angles C4'-P-C4' energy: -75.673
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -74.478
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1196.798915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.798915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.998915 (E_RNA)
where:
Base-Base interactions energy: -689.429
where: short stacking energy: -290.252
Base-Backbone interact. energy: -0.840
local terms energy: -324.729994
where:
bonds (distance) C4'-P energy: -60.408
bonds (distance) P-C4' energy: -60.721
flat angles C4'-P-C4' energy: -75.225
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -79.249
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1194.423726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.423726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.423726 (E_RNA)
where:
Base-Base interactions energy: -678.166
where: short stacking energy: -269.026
Base-Backbone interact. energy: -2.399
local terms energy: -297.858393
where:
bonds (distance) C4'-P energy: -57.934
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -65.898
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -62.122
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1071.150040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.150040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.750040 (E_RNA)
where:
Base-Base interactions energy: -608.332
where: short stacking energy: -241.356
Base-Backbone interact. energy: 6.533
local terms energy: -292.950886
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -69.322
flat angles C4'-P-C4' energy: -54.112
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -64.629
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -987.023380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.023380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.423380 (E_RNA)
where:
Base-Base interactions energy: -560.863
where: short stacking energy: -248.618
Base-Backbone interact. energy: 2.940
local terms energy: -263.500494
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -61.837
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -56.067
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -879.708677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.708677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.308677 (E_RNA)
where:
Base-Base interactions energy: -473.416
where: short stacking energy: -179.455
Base-Backbone interact. energy: 0.044
local terms energy: -256.936055
where:
bonds (distance) C4'-P energy: -58.978
bonds (distance) P-C4' energy: -64.405
flat angles C4'-P-C4' energy: -67.416
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1417.888211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.888211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.288211 (E_RNA)
where:
Base-Base interactions energy: -849.783
where: short stacking energy: -346.238
Base-Backbone interact. energy: -2.139
local terms energy: -364.365902
where:
bonds (distance) C4'-P energy: -75.892
bonds (distance) P-C4' energy: -74.503
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -54.321
tors. eta vs tors. theta energy: -85.346
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1390.374549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.374549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.174549 (E_RNA)
where:
Base-Base interactions energy: -838.049
where: short stacking energy: -342.308
Base-Backbone interact. energy: -2.973
local terms energy: -362.152128
where:
bonds (distance) C4'-P energy: -67.751
bonds (distance) P-C4' energy: -78.073
flat angles C4'-P-C4' energy: -78.776
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -87.016
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1333.709371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.709371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.109371 (E_RNA)
where:
Base-Base interactions energy: -786.964
where: short stacking energy: -333.442
Base-Backbone interact. energy: -2.505
local terms energy: -351.641195
where:
bonds (distance) C4'-P energy: -73.088
bonds (distance) P-C4' energy: -67.154
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -51.335
tors. eta vs tors. theta energy: -90.901
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1334.101371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.901371 (E_RNA)
where:
Base-Base interactions energy: -782.881
where: short stacking energy: -315.015
Base-Backbone interact. energy: -0.476
local terms energy: -336.543942
where:
bonds (distance) C4'-P energy: -72.556
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -74.179
flat angles P-C4'-P energy: -46.125
tors. eta vs tors. theta energy: -82.174
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1239.405055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.405055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.005055 (E_RNA)
where:
Base-Base interactions energy: -705.010
where: short stacking energy: -262.519
Base-Backbone interact. energy: -0.193
local terms energy: -321.802291
where:
bonds (distance) C4'-P energy: -75.106
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -78.122
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -62.825
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1193.177685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.177685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.777685 (E_RNA)
where:
Base-Base interactions energy: -704.404
where: short stacking energy: -282.792
Base-Backbone interact. energy: -1.962
local terms energy: -310.411885
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -76.799
flat angles C4'-P-C4' energy: -74.169
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -67.543
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1207.123144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.123144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.123144 (E_RNA)
where:
Base-Base interactions energy: -687.986
where: short stacking energy: -255.302
Base-Backbone interact. energy: 0.514
local terms energy: -303.651142
where:
bonds (distance) C4'-P energy: -57.374
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -68.929
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -65.634
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1086.532729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.532729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.532729 (E_RNA)
where:
Base-Base interactions energy: -628.898
where: short stacking energy: -244.822
Base-Backbone interact. energy: -0.878
local terms energy: -285.756353
where:
bonds (distance) C4'-P energy: -60.004
bonds (distance) P-C4' energy: -65.903
flat angles C4'-P-C4' energy: -59.689
flat angles P-C4'-P energy: -47.293
tors. eta vs tors. theta energy: -52.867
Dist. restrs. and SS energy: -171.000 (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: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -993.869063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.869063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.469063 (E_RNA)
where:
Base-Base interactions energy: -570.714
where: short stacking energy: -234.070
Base-Backbone interact. energy: -3.179
local terms energy: -261.576203
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -57.847
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -880.326849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.326849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.126849 (E_RNA)
where:
Base-Base interactions energy: -481.479
where: short stacking energy: -182.005
Base-Backbone interact. energy: 1.833
local terms energy: -249.481289
where:
bonds (distance) C4'-P energy: -61.730
bonds (distance) P-C4' energy: -68.174
flat angles C4'-P-C4' energy: -62.956
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -25.901
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1443.204528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.204528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.604528 (E_RNA)
where:
Base-Base interactions energy: -880.788
where: short stacking energy: -343.677
Base-Backbone interact. energy: -1.031
local terms energy: -359.784944
where:
bonds (distance) C4'-P energy: -78.129
bonds (distance) P-C4' energy: -59.373
flat angles C4'-P-C4' energy: -81.684
flat angles P-C4'-P energy: -58.344
tors. eta vs tors. theta energy: -82.256
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1380.885381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.885381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.685381 (E_RNA)
where:
Base-Base interactions energy: -843.023
where: short stacking energy: -349.077
Base-Backbone interact. energy: -2.108
local terms energy: -348.554371
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -59.317
flat angles C4'-P-C4' energy: -71.864
flat angles P-C4'-P energy: -52.301
tors. eta vs tors. theta energy: -99.626
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1354.741484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.741484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.941484 (E_RNA)
where:
Base-Base interactions energy: -766.689
where: short stacking energy: -323.620
Base-Backbone interact. energy: -3.061
local terms energy: -367.191135
where:
bonds (distance) C4'-P energy: -75.868
bonds (distance) P-C4' energy: -70.092
flat angles C4'-P-C4' energy: -84.886
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -86.762
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1303.453725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.453725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.253725 (E_RNA)
where:
Base-Base interactions energy: -780.503
where: short stacking energy: -335.213
Base-Backbone interact. energy: 1.067
local terms energy: -327.817854
where:
bonds (distance) C4'-P energy: -63.782
bonds (distance) P-C4' energy: -61.579
flat angles C4'-P-C4' energy: -68.414
flat angles P-C4'-P energy: -48.371
tors. eta vs tors. theta energy: -85.671
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1251.502310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.502310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.102310 (E_RNA)
where:
Base-Base interactions energy: -723.299
where: short stacking energy: -285.562
Base-Backbone interact. energy: -1.839
local terms energy: -313.963669
where:
bonds (distance) C4'-P energy: -62.084
bonds (distance) P-C4' energy: -67.380
flat angles C4'-P-C4' energy: -74.730
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -68.408
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1187.447684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.447684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.447684 (E_RNA)
where:
Base-Base interactions energy: -673.938
where: short stacking energy: -295.374
Base-Backbone interact. energy: 5.006
local terms energy: -338.515597
where:
bonds (distance) C4'-P energy: -68.906
bonds (distance) P-C4' energy: -77.439
flat angles C4'-P-C4' energy: -75.378
flat angles P-C4'-P energy: -44.963
tors. eta vs tors. theta energy: -71.830
Dist. restrs. and SS energy: -180.000 (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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1198.508949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.508949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.908949 (E_RNA)
where:
Base-Base interactions energy: -687.162
where: short stacking energy: -264.956
Base-Backbone interact. energy: -3.993
local terms energy: -296.753980
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -70.862
flat angles C4'-P-C4' energy: -70.103
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -61.155
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1067.990608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.990608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.590608 (E_RNA)
where:
Base-Base interactions energy: -605.776
where: short stacking energy: -235.636
Base-Backbone interact. energy: -1.768
local terms energy: -293.046001
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -69.423
flat angles C4'-P-C4' energy: -66.242
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -61.670
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -979.417456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.417456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.217456 (E_RNA)
where:
Base-Base interactions energy: -551.998
where: short stacking energy: -213.370
Base-Backbone interact. energy: -2.209
local terms energy: -265.009757
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -66.134
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -49.833
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -863.784234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.784234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.984234 (E_RNA)
where:
Base-Base interactions energy: -478.352
where: short stacking energy: -198.981
Base-Backbone interact. energy: 5.700
local terms energy: -245.333025
where:
bonds (distance) C4'-P energy: -62.324
bonds (distance) P-C4' energy: -65.111
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -29.181
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1433.207051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.207051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.407051 (E_RNA)
where:
Base-Base interactions energy: -864.369
where: short stacking energy: -337.338
Base-Backbone interact. energy: -0.849
local terms energy: -368.188906
where:
bonds (distance) C4'-P energy: -75.121
bonds (distance) P-C4' energy: -70.205
flat angles C4'-P-C4' energy: -85.829
flat angles P-C4'-P energy: -55.828
tors. eta vs tors. theta energy: -81.206
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1383.806945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.806945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.806945 (E_RNA)
where:
Base-Base interactions energy: -807.698
where: short stacking energy: -329.137
Base-Backbone interact. energy: 2.177
local terms energy: -362.285311
where:
bonds (distance) C4'-P energy: -75.278
bonds (distance) P-C4' energy: -73.044
flat angles C4'-P-C4' energy: -71.286
flat angles P-C4'-P energy: -56.873
tors. eta vs tors. theta energy: -85.805
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1334.430167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.430167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.830167 (E_RNA)
where:
Base-Base interactions energy: -806.984
where: short stacking energy: -343.301
Base-Backbone interact. energy: -1.737
local terms energy: -342.108812
where:
bonds (distance) C4'-P energy: -67.058
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -74.893
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -89.886
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1295.152087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.152087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.552087 (E_RNA)
where:
Base-Base interactions energy: -736.769
where: short stacking energy: -301.727
Base-Backbone interact. energy: -1.025
local terms energy: -355.758605
where:
bonds (distance) C4'-P energy: -72.038
bonds (distance) P-C4' energy: -70.490
flat angles C4'-P-C4' energy: -77.843
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -87.258
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1260.691435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.691435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.491435 (E_RNA)
where:
Base-Base interactions energy: -750.384
where: short stacking energy: -293.082
Base-Backbone interact. energy: -1.339
local terms energy: -294.767967
where:
bonds (distance) C4'-P energy: -64.017
bonds (distance) P-C4' energy: -62.794
flat angles C4'-P-C4' energy: -66.409
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -64.207
Dist. restrs. and SS energy: -214.200 (S_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: 119
Temperature: 1.150000
Total energy: -1236.202380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.202380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.802380 (E_RNA)
where:
Base-Base interactions energy: -706.370
where: short stacking energy: -301.155
Base-Backbone interact. energy: -2.826
local terms energy: -314.607119
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -69.873
flat angles C4'-P-C4' energy: -78.965
flat angles P-C4'-P energy: -44.877
tors. eta vs tors. theta energy: -64.868
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1101.621026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.821026 (E_RNA)
where:
Base-Base interactions energy: -636.028
where: short stacking energy: -255.297
Base-Backbone interact. energy: -0.647
local terms energy: -274.145950
where:
bonds (distance) C4'-P energy: -57.537
bonds (distance) P-C4' energy: -60.391
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -58.452
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1093.146345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.146345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.946345 (E_RNA)
where:
Base-Base interactions energy: -637.703
where: short stacking energy: -245.685
Base-Backbone interact. energy: -3.020
local terms energy: -274.223092
where:
bonds (distance) C4'-P energy: -66.941
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -54.125
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -980.314276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.314276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.914276 (E_RNA)
where:
Base-Base interactions energy: -577.628
where: short stacking energy: -227.012
Base-Backbone interact. energy: -2.193
local terms energy: -242.093926
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -910.863467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.863467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.463467 (E_RNA)
where:
Base-Base interactions energy: -505.956
where: short stacking energy: -193.303
Base-Backbone interact. energy: 7.987
local terms energy: -254.494164
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -68.173
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1416.121434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.121434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.521434 (E_RNA)
where:
Base-Base interactions energy: -864.034
where: short stacking energy: -342.036
Base-Backbone interact. energy: -1.705
local terms energy: -348.782690
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -79.224
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: -83.643
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1369.495037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.495037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.295037 (E_RNA)
where:
Base-Base interactions energy: -781.840
where: short stacking energy: -319.053
Base-Backbone interact. energy: 0.615
local terms energy: -374.070024
where:
bonds (distance) C4'-P energy: -81.914
bonds (distance) P-C4' energy: -84.420
flat angles C4'-P-C4' energy: -82.424
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -79.638
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1311.276034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.276034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.276034 (E_RNA)
where:
Base-Base interactions energy: -762.269
where: short stacking energy: -314.596
Base-Backbone interact. energy: -0.829
local terms energy: -350.178373
where:
bonds (distance) C4'-P energy: -74.609
bonds (distance) P-C4' energy: -78.552
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -46.148
tors. eta vs tors. theta energy: -75.701
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1297.015340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.015340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.215340 (E_RNA)
where:
Base-Base interactions energy: -789.275
where: short stacking energy: -362.601
Base-Backbone interact. energy: -2.457
local terms energy: -323.482691
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -75.827
flat angles P-C4'-P energy: -52.688
tors. eta vs tors. theta energy: -82.511
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1246.413908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.413908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.213908 (E_RNA)
where:
Base-Base interactions energy: -714.766
where: short stacking energy: -272.397
Base-Backbone interact. energy: -3.658
local terms energy: -313.789828
where:
bonds (distance) C4'-P energy: -70.670
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -68.760
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -63.060
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1230.795304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.795304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.995304 (E_RNA)
where:
Base-Base interactions energy: -688.839
where: short stacking energy: -287.530
Base-Backbone interact. energy: -1.774
local terms energy: -331.383211
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -74.455
flat angles P-C4'-P energy: -51.377
tors. eta vs tors. theta energy: -82.782
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1149.761473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.761473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.961473 (E_RNA)
where:
Base-Base interactions energy: -653.585
where: short stacking energy: -268.100
Base-Backbone interact. energy: -2.261
local terms energy: -312.116241
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -67.500
flat angles C4'-P-C4' energy: -67.135
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -67.062
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1041.574204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.574204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.374204 (E_RNA)
where:
Base-Base interactions energy: -606.761
where: short stacking energy: -249.916
Base-Backbone interact. energy: -2.218
local terms energy: -272.395311
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -43.324
tors. eta vs tors. theta energy: -67.379
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -993.340848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.340848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.140848 (E_RNA)
where:
Base-Base interactions energy: -566.814
where: short stacking energy: -230.697
Base-Backbone interact. energy: 1.100
local terms energy: -267.426481
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -65.117
flat angles C4'-P-C4' energy: -63.788
flat angles P-C4'-P energy: -26.565
tors. eta vs tors. theta energy: -54.834
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -902.995480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.995480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.195480 (E_RNA)
where:
Base-Base interactions energy: -488.075
where: short stacking energy: -201.703
Base-Backbone interact. energy: -1.295
local terms energy: -249.825374
where:
bonds (distance) C4'-P energy: -65.480
bonds (distance) P-C4' energy: -66.849
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -31.994
tors. eta vs tors. theta energy: -40.370
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1420.100259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.100259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.300259 (E_RNA)
where:
Base-Base interactions energy: -850.193
where: short stacking energy: -352.570
Base-Backbone interact. energy: -1.481
local terms energy: -368.626449
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -80.677
flat angles C4'-P-C4' energy: -79.900
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -98.172
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1389.809424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.809424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.809424 (E_RNA)
where:
Base-Base interactions energy: -806.527
where: short stacking energy: -350.154
Base-Backbone interact. energy: 1.111
local terms energy: -368.393426
where:
bonds (distance) C4'-P energy: -60.837
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: -97.226
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1347.253552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.253552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.053552 (E_RNA)
where:
Base-Base interactions energy: -794.051
where: short stacking energy: -343.082
Base-Backbone interact. energy: -1.550
local terms energy: -355.453352
where:
bonds (distance) C4'-P energy: -73.974
bonds (distance) P-C4' energy: -61.441
flat angles C4'-P-C4' energy: -75.794
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -99.067
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1280.035427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.035427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.635427 (E_RNA)
where:
Base-Base interactions energy: -762.876
where: short stacking energy: -330.931
Base-Backbone interact. energy: -2.922
local terms energy: -328.837159
where:
bonds (distance) C4'-P energy: -59.414
bonds (distance) P-C4' energy: -60.301
flat angles C4'-P-C4' energy: -64.974
flat angles P-C4'-P energy: -57.445
tors. eta vs tors. theta energy: -86.704
Dist. restrs. and SS energy: -185.400 (S_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: 121
Temperature: 1.100000
Total energy: -1263.078040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.078040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.478040 (E_RNA)
where:
Base-Base interactions energy: -728.645
where: short stacking energy: -283.406
Base-Backbone interact. energy: -3.530
local terms energy: -320.303131
where:
bonds (distance) C4'-P energy: -63.717
bonds (distance) P-C4' energy: -70.191
flat angles C4'-P-C4' energy: -75.792
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -61.180
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1239.811907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.811907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.011907 (E_RNA)
where:
Base-Base interactions energy: -719.978
where: short stacking energy: -274.834
Base-Backbone interact. energy: 0.492
local terms energy: -311.526149
where:
bonds (distance) C4'-P energy: -62.725
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -73.405
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1113.815270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.815270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.215270 (E_RNA)
where:
Base-Base interactions energy: -621.829
where: short stacking energy: -271.880
Base-Backbone interact. energy: -1.176
local terms energy: -307.210055
where:
bonds (distance) C4'-P energy: -59.192
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -75.874
flat angles P-C4'-P energy: -46.518
tors. eta vs tors. theta energy: -62.564
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1060.008471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.008471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.608471 (E_RNA)
where:
Base-Base interactions energy: -627.578
where: short stacking energy: -258.449
Base-Backbone interact. energy: 0.945
local terms energy: -283.975301
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -53.056
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -66.014
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1030.831808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.831808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.031808 (E_RNA)
where:
Base-Base interactions energy: -592.829
where: short stacking energy: -222.621
Base-Backbone interact. energy: -0.984
local terms energy: -255.219575
where:
bonds (distance) C4'-P energy: -52.209
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -42.662
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -911.042135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.042135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.442135 (E_RNA)
where:
Base-Base interactions energy: -515.856
where: short stacking energy: -205.755
Base-Backbone interact. energy: 0.968
local terms energy: -230.553570
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -65.944
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1418.766008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.166008 (E_RNA)
where:
Base-Base interactions energy: -844.509
where: short stacking energy: -347.642
Base-Backbone interact. energy: -1.342
local terms energy: -371.315826
where:
bonds (distance) C4'-P energy: -69.584
bonds (distance) P-C4' energy: -71.878
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -57.505
tors. eta vs tors. theta energy: -90.644
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1391.812224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.812224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.612224 (E_RNA)
where:
Base-Base interactions energy: -797.301
where: short stacking energy: -333.861
Base-Backbone interact. energy: -3.163
local terms energy: -377.148226
where:
bonds (distance) C4'-P energy: -72.205
bonds (distance) P-C4' energy: -78.211
flat angles C4'-P-C4' energy: -75.207
flat angles P-C4'-P energy: -54.916
tors. eta vs tors. theta energy: -96.610
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1322.441646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.441646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.041646 (E_RNA)
where:
Base-Base interactions energy: -775.859
where: short stacking energy: -334.068
Base-Backbone interact. energy: -0.144
local terms energy: -352.038815
where:
bonds (distance) C4'-P energy: -64.004
bonds (distance) P-C4' energy: -75.223
flat angles C4'-P-C4' energy: -82.253
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -90.757
Dist. restrs. and SS energy: -194.400 (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: 122
Temperature: 1.050000
Total energy: -1315.106445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.106445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.706445 (E_RNA)
where:
Base-Base interactions energy: -773.308
where: short stacking energy: -324.048
Base-Backbone interact. energy: -2.329
local terms energy: -354.069412
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -77.454
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -79.357
Dist. restrs. and SS energy: -185.400 (S_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: 122
Temperature: 1.100000
Total energy: -1250.051198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.051198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.651198 (E_RNA)
where:
Base-Base interactions energy: -720.392
where: short stacking energy: -298.415
Base-Backbone interact. energy: -3.362
local terms energy: -313.897187
where:
bonds (distance) C4'-P energy: -57.141
bonds (distance) P-C4' energy: -77.659
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -68.366
Dist. restrs. and SS energy: -212.400 (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: 122
Temperature: 1.150000
Total energy: -1206.438431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.438431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.238431 (E_RNA)
where:
Base-Base interactions energy: -697.558
where: short stacking energy: -294.882
Base-Backbone interact. energy: 0.342
local terms energy: -304.022810
where:
bonds (distance) C4'-P energy: -74.281
bonds (distance) P-C4' energy: -47.272
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -50.368
tors. eta vs tors. theta energy: -71.698
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1110.566030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.566030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.966030 (E_RNA)
where:
Base-Base interactions energy: -606.061
where: short stacking energy: -253.297
Base-Backbone interact. energy: -0.799
local terms energy: -320.105329
where:
bonds (distance) C4'-P energy: -61.109
bonds (distance) P-C4' energy: -69.277
flat angles C4'-P-C4' energy: -70.457
flat angles P-C4'-P energy: -54.406
tors. eta vs tors. theta energy: -64.857
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1046.981404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.981404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.381404 (E_RNA)
where:
Base-Base interactions energy: -596.651
where: short stacking energy: -258.130
Base-Backbone interact. energy: 1.527
local terms energy: -295.257274
where:
bonds (distance) C4'-P energy: -55.183
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -73.010
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -61.992
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -971.563338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.563338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.363338 (E_RNA)
where:
Base-Base interactions energy: -545.105
where: short stacking energy: -233.955
Base-Backbone interact. energy: 2.483
local terms energy: -268.741566
where:
bonds (distance) C4'-P energy: -63.291
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -46.547
Dist. restrs. and SS energy: -160.200 (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: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1000.489198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.489198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.489198 (E_RNA)
where:
Base-Base interactions energy: -589.988
where: short stacking energy: -230.308
Base-Backbone interact. energy: 0.081
local terms energy: -221.582490
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -51.177
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -20.543
tors. eta vs tors. theta energy: -43.157
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1427.724617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.724617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.124617 (E_RNA)
where:
Base-Base interactions energy: -846.969
where: short stacking energy: -355.037
Base-Backbone interact. energy: -0.657
local terms energy: -378.498363
where:
bonds (distance) C4'-P energy: -77.339
bonds (distance) P-C4' energy: -67.405
flat angles C4'-P-C4' energy: -77.298
flat angles P-C4'-P energy: -50.862
tors. eta vs tors. theta energy: -105.593
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1399.980057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.980057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.580057 (E_RNA)
where:
Base-Base interactions energy: -809.344
where: short stacking energy: -339.670
Base-Backbone interact. energy: -1.752
local terms energy: -376.484050
where:
bonds (distance) C4'-P energy: -66.274
bonds (distance) P-C4' energy: -73.521
flat angles C4'-P-C4' energy: -85.616
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -96.319
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1347.823226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.823226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.623226 (E_RNA)
where:
Base-Base interactions energy: -797.431
where: short stacking energy: -356.590
Base-Backbone interact. energy: -2.309
local terms energy: -351.883016
where:
bonds (distance) C4'-P energy: -71.687
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -87.617
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -96.421
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1276.862691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.862691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.862691 (E_RNA)
where:
Base-Base interactions energy: -729.659
where: short stacking energy: -295.655
Base-Backbone interact. energy: -1.025
local terms energy: -330.178048
where:
bonds (distance) C4'-P energy: -64.853
bonds (distance) P-C4' energy: -74.268
flat angles C4'-P-C4' energy: -72.239
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -70.977
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1268.035828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.035828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.035828 (E_RNA)
where:
Base-Base interactions energy: -757.155
where: short stacking energy: -318.751
Base-Backbone interact. energy: -1.662
local terms energy: -329.218853
where:
bonds (distance) C4'-P energy: -60.727
bonds (distance) P-C4' energy: -64.748
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -83.986
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1201.439391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.439391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.039391 (E_RNA)
where:
Base-Base interactions energy: -687.142
where: short stacking energy: -277.359
Base-Backbone interact. energy: -1.245
local terms energy: -309.652078
where:
bonds (distance) C4'-P energy: -68.004
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -78.053
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1121.489025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.489025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.889025 (E_RNA)
where:
Base-Base interactions energy: -653.024
where: short stacking energy: -285.094
Base-Backbone interact. energy: -1.415
local terms energy: -283.449559
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -48.142
flat angles C4'-P-C4' energy: -69.310
flat angles P-C4'-P energy: -43.524
tors. eta vs tors. theta energy: -68.060
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1055.366490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.366490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.766490 (E_RNA)
where:
Base-Base interactions energy: -597.798
where: short stacking energy: -240.224
Base-Backbone interact. energy: -0.974
local terms energy: -299.994438
where:
bonds (distance) C4'-P energy: -56.597
bonds (distance) P-C4' energy: -69.681
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -45.626
tors. eta vs tors. theta energy: -56.746
Dist. restrs. and SS energy: -156.600 (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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -953.444871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.444871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.844871 (E_RNA)
where:
Base-Base interactions energy: -551.541
where: short stacking energy: -226.958
Base-Backbone interact. energy: -2.279
local terms energy: -243.024527
where:
bonds (distance) C4'-P energy: -56.967
bonds (distance) P-C4' energy: -58.863
flat angles C4'-P-C4' energy: -48.190
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -42.717
Dist. restrs. and SS energy: -156.600 (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: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1038.610078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.610078 (E_RNA)
where:
Base-Base interactions energy: -589.593
where: short stacking energy: -216.858
Base-Backbone interact. energy: 1.977
local terms energy: -261.994213
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -76.780
flat angles C4'-P-C4' energy: -64.972
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -47.969
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1417.328409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.328409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.528409 (E_RNA)
where:
Base-Base interactions energy: -836.040
where: short stacking energy: -360.630
Base-Backbone interact. energy: -0.012
local terms energy: -363.476358
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -76.245
flat angles C4'-P-C4' energy: -87.319
flat angles P-C4'-P energy: -52.182
tors. eta vs tors. theta energy: -87.390
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1416.512759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.512759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.912759 (E_RNA)
where:
Base-Base interactions energy: -839.032
where: short stacking energy: -344.972
Base-Backbone interact. energy: -1.817
local terms energy: -374.064015
where:
bonds (distance) C4'-P energy: -80.268
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -73.690
flat angles P-C4'-P energy: -46.102
tors. eta vs tors. theta energy: -100.361
Dist. restrs. and SS energy: -201.600 (S_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: 124
Temperature: 1.000000
Total energy: -1336.535823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.535823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.135823 (E_RNA)
where:
Base-Base interactions energy: -774.953
where: short stacking energy: -309.923
Base-Backbone interact. energy: -3.814
local terms energy: -345.368602
where:
bonds (distance) C4'-P energy: -70.287
bonds (distance) P-C4' energy: -72.353
flat angles C4'-P-C4' energy: -76.387
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -81.276
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1301.127214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.127214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.127214 (E_RNA)
where:
Base-Base interactions energy: -767.128
where: short stacking energy: -315.070
Base-Backbone interact. energy: -3.970
local terms energy: -332.028839
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -68.658
flat angles C4'-P-C4' energy: -69.505
flat angles P-C4'-P energy: -47.893
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1282.542704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.542704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.142704 (E_RNA)
where:
Base-Base interactions energy: -767.183
where: short stacking energy: -320.995
Base-Backbone interact. energy: -2.015
local terms energy: -327.944646
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -72.928
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -85.703
Dist. restrs. and SS energy: -185.400 (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: 124
Temperature: 1.150000
Total energy: -1223.280571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.280571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.880571 (E_RNA)
where:
Base-Base interactions energy: -703.195
where: short stacking energy: -297.377
Base-Backbone interact. energy: -1.337
local terms energy: -315.348104
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -68.710
flat angles P-C4'-P energy: -47.442
tors. eta vs tors. theta energy: -81.902
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1129.265533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.265533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.665533 (E_RNA)
where:
Base-Base interactions energy: -635.215
where: short stacking energy: -267.013
Base-Backbone interact. energy: -1.384
local terms energy: -309.066598
where:
bonds (distance) C4'-P energy: -61.606
bonds (distance) P-C4' energy: -65.683
flat angles C4'-P-C4' energy: -75.876
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: -63.759
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1085.102467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.102467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.302467 (E_RNA)
where:
Base-Base interactions energy: -644.609
where: short stacking energy: -267.579
Base-Backbone interact. energy: 0.176
local terms energy: -285.868908
where:
bonds (distance) C4'-P energy: -59.862
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: -154.800 (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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1012.649419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.649419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.849419 (E_RNA)
where:
Base-Base interactions energy: -575.707
where: short stacking energy: -233.511
Base-Backbone interact. energy: -1.665
local terms energy: -253.477655
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -75.366
flat angles C4'-P-C4' energy: -42.437
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -63.843
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -962.935951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.935951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.935951 (E_RNA)
where:
Base-Base interactions energy: -525.217
where: short stacking energy: -219.155
Base-Backbone interact. energy: -1.702
local terms energy: -274.016861
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -65.518
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1458.525145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.525145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.525145 (E_RNA)
where:
Base-Base interactions energy: -856.184
where: short stacking energy: -352.891
Base-Backbone interact. energy: 2.341
local terms energy: -388.682921
where:
bonds (distance) C4'-P energy: -75.095
bonds (distance) P-C4' energy: -76.341
flat angles C4'-P-C4' energy: -84.409
flat angles P-C4'-P energy: -58.566
tors. eta vs tors. theta energy: -94.272
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1411.746851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.746851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.346851 (E_RNA)
where:
Base-Base interactions energy: -839.052
where: short stacking energy: -322.514
Base-Backbone interact. energy: 0.097
local terms energy: -369.392150
where:
bonds (distance) C4'-P energy: -82.032
bonds (distance) P-C4' energy: -65.246
flat angles C4'-P-C4' energy: -80.149
flat angles P-C4'-P energy: -58.293
tors. eta vs tors. theta energy: -83.671
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1335.422687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.422687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.422687 (E_RNA)
where:
Base-Base interactions energy: -772.815
where: short stacking energy: -319.834
Base-Backbone interact. energy: -1.093
local terms energy: -345.514637
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -69.578
flat angles C4'-P-C4' energy: -79.572
flat angles P-C4'-P energy: -59.969
tors. eta vs tors. theta energy: -81.188
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1322.175877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.175877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.175877 (E_RNA)
where:
Base-Base interactions energy: -766.586
where: short stacking energy: -327.736
Base-Backbone interact. energy: -0.450
local terms energy: -357.139811
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -79.201
flat angles C4'-P-C4' energy: -75.780
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -99.837
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1283.660123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.660123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.660123 (E_RNA)
where:
Base-Base interactions energy: -772.067
where: short stacking energy: -309.046
Base-Backbone interact. energy: -4.278
local terms energy: -327.315541
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -66.880
flat angles C4'-P-C4' energy: -69.407
flat angles P-C4'-P energy: -47.166
tors. eta vs tors. theta energy: -81.174
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1183.710992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.710992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.110992 (E_RNA)
where:
Base-Base interactions energy: -667.929
where: short stacking energy: -260.711
Base-Backbone interact. energy: 0.948
local terms energy: -306.130341
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -68.479
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -61.814
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1146.936911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.936911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.936911 (E_RNA)
where:
Base-Base interactions energy: -671.431
where: short stacking energy: -271.568
Base-Backbone interact. energy: 0.581
local terms energy: -287.086634
where:
bonds (distance) C4'-P energy: -62.722
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -58.938
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1076.683191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.683191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.083191 (E_RNA)
where:
Base-Base interactions energy: -603.518
where: short stacking energy: -233.261
Base-Backbone interact. energy: 0.173
local terms energy: -280.738184
where:
bonds (distance) C4'-P energy: -54.523
bonds (distance) P-C4' energy: -74.084
flat angles C4'-P-C4' energy: -48.051
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -55.699
Dist. restrs. and SS energy: -192.600 (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: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1001.317730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.317730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.117730 (E_RNA)
where:
Base-Base interactions energy: -558.850
where: short stacking energy: -219.219
Base-Backbone interact. energy: 3.601
local terms energy: -285.868865
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -64.705
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -38.653
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -967.646323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.646323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.646323 (E_RNA)
where:
Base-Base interactions energy: -553.115
where: short stacking energy: -225.759
Base-Backbone interact. energy: -2.666
local terms energy: -249.865225
where:
bonds (distance) C4'-P energy: -48.697
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -68.333
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -52.613
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1442.897273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.897273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.097273 (E_RNA)
where:
Base-Base interactions energy: -835.237
where: short stacking energy: -357.364
Base-Backbone interact. energy: -0.005
local terms energy: -389.855936
where:
bonds (distance) C4'-P energy: -77.163
bonds (distance) P-C4' energy: -71.217
flat angles C4'-P-C4' energy: -88.306
flat angles P-C4'-P energy: -57.773
tors. eta vs tors. theta energy: -95.397
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1432.274156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.274156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.474156 (E_RNA)
where:
Base-Base interactions energy: -869.805
where: short stacking energy: -357.153
Base-Backbone interact. energy: -1.198
local terms energy: -352.470626
where:
bonds (distance) C4'-P energy: -69.947
bonds (distance) P-C4' energy: -72.381
flat angles C4'-P-C4' energy: -71.596
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: -94.646
Dist. restrs. and SS energy: -208.800 (S_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: 126
Temperature: 1.000000
Total energy: -1351.288673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.288673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.488673 (E_RNA)
where:
Base-Base interactions energy: -802.829
where: short stacking energy: -343.105
Base-Backbone interact. energy: -1.785
local terms energy: -346.874460
where:
bonds (distance) C4'-P energy: -66.917
bonds (distance) P-C4' energy: -70.467
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -48.414
tors. eta vs tors. theta energy: -93.633
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1320.357826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.357826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.157826 (E_RNA)
where:
Base-Base interactions energy: -733.144
where: short stacking energy: -301.396
Base-Backbone interact. energy: -1.109
local terms energy: -371.905244
where:
bonds (distance) C4'-P energy: -74.483
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -69.832
flat angles P-C4'-P energy: -58.232
tors. eta vs tors. theta energy: -86.675
Dist. restrs. and SS energy: -214.200 (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: 126
Temperature: 1.100000
Total energy: -1249.484731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.484731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.884731 (E_RNA)
where:
Base-Base interactions energy: -739.205
where: short stacking energy: -293.195
Base-Backbone interact. energy: -5.058
local terms energy: -321.622134
where:
bonds (distance) C4'-P energy: -61.982
bonds (distance) P-C4' energy: -62.902
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -74.911
Dist. restrs. and SS energy: -183.600 (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: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1213.784013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.784013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.584013 (E_RNA)
where:
Base-Base interactions energy: -701.574
where: short stacking energy: -295.480
Base-Backbone interact. energy: 1.890
local terms energy: -308.899940
where:
bonds (distance) C4'-P energy: -62.240
bonds (distance) P-C4' energy: -67.888
flat angles C4'-P-C4' energy: -62.966
flat angles P-C4'-P energy: -47.124
tors. eta vs tors. theta energy: -68.681
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1178.219034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.219034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.419034 (E_RNA)
where:
Base-Base interactions energy: -686.616
where: short stacking energy: -278.195
Base-Backbone interact. energy: -1.393
local terms energy: -290.409984
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -63.168
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -29.532
tors. eta vs tors. theta energy: -68.509
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1080.740463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.740463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.740463 (E_RNA)
where:
Base-Base interactions energy: -623.898
where: short stacking energy: -244.296
Base-Backbone interact. energy: -0.164
local terms energy: -267.678736
where:
bonds (distance) C4'-P energy: -67.047
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -60.516
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -56.672
Dist. restrs. and SS energy: -189.000 (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: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1004.150803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.150803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.550803 (E_RNA)
where:
Base-Base interactions energy: -585.009
where: short stacking energy: -253.126
Base-Backbone interact. energy: -3.030
local terms energy: -250.511267
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -52.808
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -46.528
Dist. restrs. and SS energy: -165.600 (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: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -953.530359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.530359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.530359 (E_RNA)
where:
Base-Base interactions energy: -564.146
where: short stacking energy: -231.475
Base-Backbone interact. energy: 0.595
local terms energy: -236.979049
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -52.787
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -46.822
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1422.282065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.282065 (E_RNA)
where:
Base-Base interactions energy: -827.405
where: short stacking energy: -358.636
Base-Backbone interact. energy: -3.484
local terms energy: -375.392590
where:
bonds (distance) C4'-P energy: -64.061
bonds (distance) P-C4' energy: -83.860
flat angles C4'-P-C4' energy: -79.849
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -96.544
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1444.087598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.087598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.487598 (E_RNA)
where:
Base-Base interactions energy: -866.626
where: short stacking energy: -345.190
Base-Backbone interact. energy: -2.427
local terms energy: -373.434366
where:
bonds (distance) C4'-P energy: -67.917
bonds (distance) P-C4' energy: -75.797
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -94.974
Dist. restrs. and SS energy: -201.600 (S_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: 127
Temperature: 1.000000
Total energy: -1350.739474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.739474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.739474 (E_RNA)
where:
Base-Base interactions energy: -781.498
where: short stacking energy: -335.454
Base-Backbone interact. energy: -1.213
local terms energy: -370.028135
where:
bonds (distance) C4'-P energy: -70.962
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -81.770
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: -89.973
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1319.601224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.601224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.201224 (E_RNA)
where:
Base-Base interactions energy: -774.764
where: short stacking energy: -318.202
Base-Backbone interact. energy: -0.858
local terms energy: -331.579117
where:
bonds (distance) C4'-P energy: -62.046
bonds (distance) P-C4' energy: -58.026
flat angles C4'-P-C4' energy: -80.757
flat angles P-C4'-P energy: -48.684
tors. eta vs tors. theta energy: -82.067
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1229.663411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.663411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.063411 (E_RNA)
where:
Base-Base interactions energy: -737.078
where: short stacking energy: -309.894
Base-Backbone interact. energy: -3.363
local terms energy: -305.622974
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -57.443
flat angles C4'-P-C4' energy: -71.206
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -75.592
Dist. restrs. and SS energy: -183.600 (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: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1202.434260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.434260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.434260 (E_RNA)
where:
Base-Base interactions energy: -680.029
where: short stacking energy: -263.832
Base-Backbone interact. energy: -2.795
local terms energy: -312.610539
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -76.058
flat angles C4'-P-C4' energy: -60.917
flat angles P-C4'-P energy: -47.853
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1191.321770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.321770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.321770 (E_RNA)
where:
Base-Base interactions energy: -704.154
where: short stacking energy: -280.222
Base-Backbone interact. energy: 0.864
local terms energy: -290.031742
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -63.809
flat angles P-C4'-P energy: -34.028
tors. eta vs tors. theta energy: -64.775
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1120.249813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.249813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.849813 (E_RNA)
where:
Base-Base interactions energy: -632.946
where: short stacking energy: -256.388
Base-Backbone interact. energy: -0.782
local terms energy: -292.121690
where:
bonds (distance) C4'-P energy: -67.477
bonds (distance) P-C4' energy: -61.652
flat angles C4'-P-C4' energy: -59.903
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -62.960
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -972.285251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.285251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.085251 (E_RNA)
where:
Base-Base interactions energy: -557.343
where: short stacking energy: -240.615
Base-Backbone interact. energy: -0.342
local terms energy: -254.399564
where:
bonds (distance) C4'-P energy: -41.480
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -64.573
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -50.595
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -883.354780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.354780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.754780 (E_RNA)
where:
Base-Base interactions energy: -489.339
where: short stacking energy: -200.662
Base-Backbone interact. energy: 6.627
local terms energy: -235.043180
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -54.627
flat angles C4'-P-C4' energy: -58.100
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -34.963
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1448.208687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.208687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.808687 (E_RNA)
where:
Base-Base interactions energy: -860.526
where: short stacking energy: -366.070
Base-Backbone interact. energy: -1.851
local terms energy: -382.432102
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -70.251
flat angles C4'-P-C4' energy: -82.926
flat angles P-C4'-P energy: -57.432
tors. eta vs tors. theta energy: -99.631
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1425.881124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.881124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.081124 (E_RNA)
where:
Base-Base interactions energy: -840.303
where: short stacking energy: -342.226
Base-Backbone interact. energy: -3.447
local terms energy: -364.331225
where:
bonds (distance) C4'-P energy: -66.630
bonds (distance) P-C4' energy: -72.218
flat angles C4'-P-C4' energy: -82.069
flat angles P-C4'-P energy: -59.111
tors. eta vs tors. theta energy: -84.303
Dist. restrs. and SS energy: -217.800 (S_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: 128
Temperature: 1.000000
Total energy: -1342.460368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.460368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.660368 (E_RNA)
where:
Base-Base interactions energy: -782.365
where: short stacking energy: -325.304
Base-Backbone interact. energy: -2.975
local terms energy: -357.320394
where:
bonds (distance) C4'-P energy: -63.928
bonds (distance) P-C4' energy: -62.792
flat angles C4'-P-C4' energy: -83.709
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -96.118
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1333.732444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.732444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.332444 (E_RNA)
where:
Base-Base interactions energy: -764.788
where: short stacking energy: -307.496
Base-Backbone interact. energy: -2.352
local terms energy: -354.191904
where:
bonds (distance) C4'-P energy: -70.899
bonds (distance) P-C4' energy: -69.722
flat angles C4'-P-C4' energy: -80.850
flat angles P-C4'-P energy: -53.934
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1224.215886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.215886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.415886 (E_RNA)
where:
Base-Base interactions energy: -698.501
where: short stacking energy: -280.552
Base-Backbone interact. energy: -1.245
local terms energy: -315.669328
where:
bonds (distance) C4'-P energy: -65.422
bonds (distance) P-C4' energy: -65.150
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -49.951
tors. eta vs tors. theta energy: -63.369
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1191.470611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.470611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.270611 (E_RNA)
where:
Base-Base interactions energy: -703.919
where: short stacking energy: -290.817
Base-Backbone interact. energy: 6.195
local terms energy: -306.546591
where:
bonds (distance) C4'-P energy: -46.628
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -50.490
tors. eta vs tors. theta energy: -76.206
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1174.394056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.394056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.794056 (E_RNA)
where:
Base-Base interactions energy: -669.582
where: short stacking energy: -264.458
Base-Backbone interact. energy: -3.697
local terms energy: -308.514701
where:
bonds (distance) C4'-P energy: -66.181
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -49.368
tors. eta vs tors. theta energy: -62.714
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1120.791186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.791186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.191186 (E_RNA)
where:
Base-Base interactions energy: -639.920
where: short stacking energy: -266.303
Base-Backbone interact. energy: -3.083
local terms energy: -276.188213
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -71.181
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -56.623
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -984.910433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.910433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.110433 (E_RNA)
where:
Base-Base interactions energy: -550.849
where: short stacking energy: -227.654
Base-Backbone interact. energy: -0.286
local terms energy: -278.975838
where:
bonds (distance) C4'-P energy: -50.728
bonds (distance) P-C4' energy: -69.438
flat angles C4'-P-C4' energy: -68.260
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -51.663
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -921.435717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.435717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.235717 (E_RNA)
where:
Base-Base interactions energy: -509.786
where: short stacking energy: -201.809
Base-Backbone interact. energy: 6.238
local terms energy: -248.687030
where:
bonds (distance) C4'-P energy: -63.667
bonds (distance) P-C4' energy: -65.391
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1448.849145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.849145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.249145 (E_RNA)
where:
Base-Base interactions energy: -859.817
where: short stacking energy: -356.492
Base-Backbone interact. energy: 1.954
local terms energy: -389.386365
where:
bonds (distance) C4'-P energy: -71.638
bonds (distance) P-C4' energy: -74.836
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -58.422
tors. eta vs tors. theta energy: -99.997
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1412.628696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.628696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.428696 (E_RNA)
where:
Base-Base interactions energy: -839.238
where: short stacking energy: -356.544
Base-Backbone interact. energy: -0.467
local terms energy: -358.722855
where:
bonds (distance) C4'-P energy: -69.513
bonds (distance) P-C4' energy: -75.912
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -57.920
tors. eta vs tors. theta energy: -89.735
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1340.700245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.700245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.900245 (E_RNA)
where:
Base-Base interactions energy: -785.870
where: short stacking energy: -336.247
Base-Backbone interact. energy: -1.853
local terms energy: -353.178005
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -78.281
flat angles C4'-P-C4' energy: -75.547
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -89.866
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1307.193649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.193649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.393649 (E_RNA)
where:
Base-Base interactions energy: -749.923
where: short stacking energy: -308.217
Base-Backbone interact. energy: -2.332
local terms energy: -346.138745
where:
bonds (distance) C4'-P energy: -68.855
bonds (distance) P-C4' energy: -76.822
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -71.329
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1247.613518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.613518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.413518 (E_RNA)
where:
Base-Base interactions energy: -724.955
where: short stacking energy: -286.497
Base-Backbone interact. energy: -1.963
local terms energy: -306.495218
where:
bonds (distance) C4'-P energy: -55.961
bonds (distance) P-C4' energy: -71.443
flat angles C4'-P-C4' energy: -57.819
flat angles P-C4'-P energy: -52.501
tors. eta vs tors. theta energy: -68.771
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1196.911027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.911027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.311027 (E_RNA)
where:
Base-Base interactions energy: -702.778
where: short stacking energy: -282.545
Base-Backbone interact. energy: -2.800
local terms energy: -307.733815
where:
bonds (distance) C4'-P energy: -67.450
bonds (distance) P-C4' energy: -62.949
flat angles C4'-P-C4' energy: -69.391
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -66.593
Dist. restrs. and SS energy: -183.600 (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: 129
Temperature: 1.200000
Total energy: -1176.797907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.797907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.397907 (E_RNA)
where:
Base-Base interactions energy: -683.748
where: short stacking energy: -267.087
Base-Backbone interact. energy: -1.149
local terms energy: -306.500792
where:
bonds (distance) C4'-P energy: -68.421
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -71.387
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: -185.400 (S_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: 129
Temperature: 1.250000
Total energy: -1034.455119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.455119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.455119 (E_RNA)
where:
Base-Base interactions energy: -601.078
where: short stacking energy: -242.171
Base-Backbone interact. energy: 1.404
local terms energy: -272.780868
where:
bonds (distance) C4'-P energy: -62.806
bonds (distance) P-C4' energy: -58.169
flat angles C4'-P-C4' energy: -62.194
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -54.511
Dist. restrs. and SS energy: -162.000 (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: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1085.215168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.215168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.415168 (E_RNA)
where:
Base-Base interactions energy: -612.844
where: short stacking energy: -235.418
Base-Backbone interact. energy: 0.094
local terms energy: -281.664689
where:
bonds (distance) C4'-P energy: -62.714
bonds (distance) P-C4' energy: -64.275
flat angles C4'-P-C4' energy: -67.697
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -59.150
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -896.803161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.803161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.403161 (E_RNA)
where:
Base-Base interactions energy: -479.601
where: short stacking energy: -211.511
Base-Backbone interact. energy: 2.142
local terms energy: -260.944295
where:
bonds (distance) C4'-P energy: -55.255
bonds (distance) P-C4' energy: -50.806
flat angles C4'-P-C4' energy: -60.210
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -53.322
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1420.722204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.722204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.922204 (E_RNA)
where:
Base-Base interactions energy: -835.412
where: short stacking energy: -346.392
Base-Backbone interact. energy: -0.616
local terms energy: -384.893833
where:
bonds (distance) C4'-P energy: -76.633
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -59.075
tors. eta vs tors. theta energy: -95.319
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1380.158388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.158388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.158388 (E_RNA)
where:
Base-Base interactions energy: -805.225
where: short stacking energy: -328.470
Base-Backbone interact. energy: -2.149
local terms energy: -356.784983
where:
bonds (distance) C4'-P energy: -73.808
bonds (distance) P-C4' energy: -79.750
flat angles C4'-P-C4' energy: -69.509
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -89.561
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1329.173667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.173667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.373667 (E_RNA)
where:
Base-Base interactions energy: -791.477
where: short stacking energy: -339.906
Base-Backbone interact. energy: -2.876
local terms energy: -335.020799
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -61.102
flat angles C4'-P-C4' energy: -77.874
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -100.787
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1333.666069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.666069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.666069 (E_RNA)
where:
Base-Base interactions energy: -774.078
where: short stacking energy: -323.949
Base-Backbone interact. energy: 1.937
local terms energy: -345.525093
where:
bonds (distance) C4'-P energy: -71.620
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -88.411
Dist. restrs. and SS energy: -216.000 (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: 130
Temperature: 1.100000
Total energy: -1248.070207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.070207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.670207 (E_RNA)
where:
Base-Base interactions energy: -722.448
where: short stacking energy: -288.667
Base-Backbone interact. energy: -1.194
local terms energy: -303.028061
where:
bonds (distance) C4'-P energy: -60.448
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: -79.286
Dist. restrs. and SS energy: -221.400 (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: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1165.411106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.411106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.811106 (E_RNA)
where:
Base-Base interactions energy: -671.234
where: short stacking energy: -287.627
Base-Backbone interact. energy: -1.712
local terms energy: -308.865110
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -68.913
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -40.823
tors. eta vs tors. theta energy: -76.810
Dist. restrs. and SS energy: -183.600 (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: 130
Temperature: 1.200000
Total energy: -1154.190793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.190793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.990793 (E_RNA)
where:
Base-Base interactions energy: -679.230
where: short stacking energy: -274.183
Base-Backbone interact. energy: 2.465
local terms energy: -299.225584
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -64.605
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -62.857
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1038.294702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.294702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.294702 (E_RNA)
where:
Base-Base interactions energy: -599.109
where: short stacking energy: -238.034
Base-Backbone interact. energy: 1.557
local terms energy: -278.743347
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -58.425
Dist. restrs. and SS energy: -162.000 (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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1122.370894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.370894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.570894 (E_RNA)
where:
Base-Base interactions energy: -635.694
where: short stacking energy: -248.033
Base-Backbone interact. energy: -1.306
local terms energy: -285.571319
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -75.660
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -57.789
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -926.582998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.582998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.182998 (E_RNA)
where:
Base-Base interactions energy: -535.468
where: short stacking energy: -194.731
Base-Backbone interact. energy: 2.216
local terms energy: -225.931026
where:
bonds (distance) C4'-P energy: -51.253
bonds (distance) P-C4' energy: -61.066
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -36.480
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1442.988230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.988230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.388230 (E_RNA)
where:
Base-Base interactions energy: -869.567
where: short stacking energy: -368.428
Base-Backbone interact. energy: -1.361
local terms energy: -370.459646
where:
bonds (distance) C4'-P energy: -72.283
bonds (distance) P-C4' energy: -65.598
flat angles C4'-P-C4' energy: -86.991
flat angles P-C4'-P energy: -50.430
tors. eta vs tors. theta energy: -95.159
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1383.554764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.554764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.554764 (E_RNA)
where:
Base-Base interactions energy: -826.065
where: short stacking energy: -332.434
Base-Backbone interact. energy: 3.743
local terms energy: -345.233126
where:
bonds (distance) C4'-P energy: -55.428
bonds (distance) P-C4' energy: -76.322
flat angles C4'-P-C4' energy: -80.105
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -82.706
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1311.122517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.122517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.322517 (E_RNA)
where:
Base-Base interactions energy: -772.270
where: short stacking energy: -316.846
Base-Backbone interact. energy: -2.895
local terms energy: -336.157040
where:
bonds (distance) C4'-P energy: -67.124
bonds (distance) P-C4' energy: -72.056
flat angles C4'-P-C4' energy: -68.677
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1296.328779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.328779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.128779 (E_RNA)
where:
Base-Base interactions energy: -744.172
where: short stacking energy: -301.757
Base-Backbone interact. energy: -2.074
local terms energy: -335.883166
where:
bonds (distance) C4'-P energy: -74.042
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -58.209
tors. eta vs tors. theta energy: -73.682
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1245.461597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.461597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.461597 (E_RNA)
where:
Base-Base interactions energy: -712.791
where: short stacking energy: -296.540
Base-Backbone interact. energy: -1.725
local terms energy: -323.945105
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -74.169
flat angles C4'-P-C4' energy: -78.089
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -73.649
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1137.311161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.311161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.511161 (E_RNA)
where:
Base-Base interactions energy: -647.211
where: short stacking energy: -269.934
Base-Backbone interact. energy: 0.367
local terms energy: -299.667740
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -63.075
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -44.657
tors. eta vs tors. theta energy: -63.081
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1133.392916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.392916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.792916 (E_RNA)
where:
Base-Base interactions energy: -656.336
where: short stacking energy: -261.273
Base-Backbone interact. energy: -3.180
local terms energy: -290.276864
where:
bonds (distance) C4'-P energy: -66.019
bonds (distance) P-C4' energy: -49.759
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -69.170
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1114.592685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.592685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.792685 (E_RNA)
where:
Base-Base interactions energy: -647.122
where: short stacking energy: -243.763
Base-Backbone interact. energy: -2.003
local terms energy: -274.667778
where:
bonds (distance) C4'-P energy: -54.270
bonds (distance) P-C4' energy: -63.796
flat angles C4'-P-C4' energy: -65.297
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -51.044
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -995.548099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.548099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.748099 (E_RNA)
where:
Base-Base interactions energy: -581.083
where: short stacking energy: -225.754
Base-Backbone interact. energy: -0.965
local terms energy: -249.700134
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -64.726
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -49.016
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -997.180768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.180768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.980768 (E_RNA)
where:
Base-Base interactions energy: -559.991
where: short stacking energy: -227.913
Base-Backbone interact. energy: -1.365
local terms energy: -257.624184
where:
bonds (distance) C4'-P energy: -64.793
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -32.397
tors. eta vs tors. theta energy: -38.170
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1419.489586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.489586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.089586 (E_RNA)
where:
Base-Base interactions energy: -808.976
where: short stacking energy: -349.051
Base-Backbone interact. energy: 0.797
local terms energy: -398.910189
where:
bonds (distance) C4'-P energy: -75.891
bonds (distance) P-C4' energy: -76.172
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -64.208
tors. eta vs tors. theta energy: -94.430
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1420.724887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.724887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.524887 (E_RNA)
where:
Base-Base interactions energy: -827.335
where: short stacking energy: -342.803
Base-Backbone interact. energy: -1.338
local terms energy: -386.851839
where:
bonds (distance) C4'-P energy: -70.465
bonds (distance) P-C4' energy: -78.717
flat angles C4'-P-C4' energy: -87.725
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -91.053
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1330.054097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.054097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.654097 (E_RNA)
where:
Base-Base interactions energy: -757.987
where: short stacking energy: -306.865
Base-Backbone interact. energy: -0.207
local terms energy: -359.459565
where:
bonds (distance) C4'-P energy: -80.882
bonds (distance) P-C4' energy: -68.761
flat angles C4'-P-C4' energy: -79.825
flat angles P-C4'-P energy: -55.442
tors. eta vs tors. theta energy: -74.548
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1308.824596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.824596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.424596 (E_RNA)
where:
Base-Base interactions energy: -760.723
where: short stacking energy: -332.363
Base-Backbone interact. energy: -2.397
local terms energy: -351.304218
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -74.523
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -86.506
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1288.216728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.216728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.216728 (E_RNA)
where:
Base-Base interactions energy: -742.552
where: short stacking energy: -311.840
Base-Backbone interact. energy: -1.551
local terms energy: -337.113328
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -64.521
flat angles C4'-P-C4' energy: -77.508
flat angles P-C4'-P energy: -54.522
tors. eta vs tors. theta energy: -77.084
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1153.569457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.569457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.169457 (E_RNA)
where:
Base-Base interactions energy: -675.421
where: short stacking energy: -278.134
Base-Backbone interact. energy: -1.523
local terms energy: -291.225894
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -50.274
tors. eta vs tors. theta energy: -67.654
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1124.225975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.225975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.825975 (E_RNA)
where:
Base-Base interactions energy: -620.739
where: short stacking energy: -240.936
Base-Backbone interact. energy: -1.860
local terms energy: -316.226358
where:
bonds (distance) C4'-P energy: -65.005
bonds (distance) P-C4' energy: -74.904
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -54.554
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1140.251490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.051490 (E_RNA)
where:
Base-Base interactions energy: -643.387
where: short stacking energy: -251.351
Base-Backbone interact. energy: 0.202
local terms energy: -300.867330
where:
bonds (distance) C4'-P energy: -58.139
bonds (distance) P-C4' energy: -67.029
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -62.603
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1024.374194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.374194 (E_RNA)
where:
Base-Base interactions energy: -573.201
where: short stacking energy: -229.943
Base-Backbone interact. energy: 4.105
local terms energy: -275.278687
where:
bonds (distance) C4'-P energy: -70.859
bonds (distance) P-C4' energy: -66.497
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: -51.606
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -920.096988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.096988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.696988 (E_RNA)
where:
Base-Base interactions energy: -516.305
where: short stacking energy: -195.044
Base-Backbone interact. energy: -1.851
local terms energy: -243.540922
where:
bonds (distance) C4'-P energy: -59.576
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -38.632
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1424.338045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.338045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.338045 (E_RNA)
where:
Base-Base interactions energy: -818.539
where: short stacking energy: -354.178
Base-Backbone interact. energy: -1.041
local terms energy: -388.757695
where:
bonds (distance) C4'-P energy: -73.223
bonds (distance) P-C4' energy: -79.699
flat angles C4'-P-C4' energy: -85.721
flat angles P-C4'-P energy: -59.813
tors. eta vs tors. theta energy: -90.301
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1421.336218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.336218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.936218 (E_RNA)
where:
Base-Base interactions energy: -842.756
where: short stacking energy: -345.903
Base-Backbone interact. energy: -1.800
local terms energy: -373.379980
where:
bonds (distance) C4'-P energy: -69.354
bonds (distance) P-C4' energy: -71.005
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -97.854
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1341.056536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.056536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.856536 (E_RNA)
where:
Base-Base interactions energy: -769.435
where: short stacking energy: -307.331
Base-Backbone interact. energy: -2.346
local terms energy: -355.076186
where:
bonds (distance) C4'-P energy: -71.402
bonds (distance) P-C4' energy: -63.084
flat angles C4'-P-C4' energy: -83.214
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -82.821
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1289.793646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.793646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.793646 (E_RNA)
where:
Base-Base interactions energy: -744.525
where: short stacking energy: -317.096
Base-Backbone interact. energy: -1.601
local terms energy: -345.667281
where:
bonds (distance) C4'-P energy: -60.581
bonds (distance) P-C4' energy: -68.467
flat angles C4'-P-C4' energy: -85.263
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -82.056
Dist. restrs. and SS energy: -198.000 (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: 133
Temperature: 1.100000
Total energy: -1254.003554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.003554 (E_RNA)
where:
Base-Base interactions energy: -714.515
where: short stacking energy: -289.595
Base-Backbone interact. energy: -2.009
local terms energy: -321.479536
where:
bonds (distance) C4'-P energy: -66.348
bonds (distance) P-C4' energy: -62.467
flat angles C4'-P-C4' energy: -71.543
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -74.236
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1188.069046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.069046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.669046 (E_RNA)
where:
Base-Base interactions energy: -711.962
where: short stacking energy: -271.985
Base-Backbone interact. energy: -1.953
local terms energy: -288.754462
where:
bonds (distance) C4'-P energy: -61.946
bonds (distance) P-C4' energy: -65.263
flat angles C4'-P-C4' energy: -67.038
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1151.336696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.336696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.936696 (E_RNA)
where:
Base-Base interactions energy: -667.796
where: short stacking energy: -264.528
Base-Backbone interact. energy: -0.971
local terms energy: -297.170089
where:
bonds (distance) C4'-P energy: -70.595
bonds (distance) P-C4' energy: -66.667
flat angles C4'-P-C4' energy: -56.235
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -62.269
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1136.348782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.348782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.748782 (E_RNA)
where:
Base-Base interactions energy: -648.323
where: short stacking energy: -246.695
Base-Backbone interact. energy: -0.308
local terms energy: -286.117712
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -60.142
flat angles C4'-P-C4' energy: -65.750
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -59.826
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1056.490687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.490687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.290687 (E_RNA)
where:
Base-Base interactions energy: -596.074
where: short stacking energy: -250.567
Base-Backbone interact. energy: -1.411
local terms energy: -280.804909
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -66.574
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -59.580
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -921.462665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.462665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.262665 (E_RNA)
where:
Base-Base interactions energy: -523.652
where: short stacking energy: -222.791
Base-Backbone interact. energy: 0.712
local terms energy: -247.322901
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -55.573
flat angles C4'-P-C4' energy: -56.922
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1466.097185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.097185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.897185 (E_RNA)
where:
Base-Base interactions energy: -855.695
where: short stacking energy: -355.156
Base-Backbone interact. energy: -1.723
local terms energy: -403.479708
where:
bonds (distance) C4'-P energy: -76.535
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -82.883
flat angles P-C4'-P energy: -65.493
tors. eta vs tors. theta energy: -105.755
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1405.838852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.838852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.638852 (E_RNA)
where:
Base-Base interactions energy: -821.373
where: short stacking energy: -345.647
Base-Backbone interact. energy: 1.239
local terms energy: -371.505492
where:
bonds (distance) C4'-P energy: -71.150
bonds (distance) P-C4' energy: -72.810
flat angles C4'-P-C4' energy: -88.807
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -87.374
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1394.556507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.556507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.156507 (E_RNA)
where:
Base-Base interactions energy: -825.741
where: short stacking energy: -336.029
Base-Backbone interact. energy: -0.854
local terms energy: -355.561535
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -77.120
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -88.785
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1286.811355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.811355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.611355 (E_RNA)
where:
Base-Base interactions energy: -758.724
where: short stacking energy: -312.165
Base-Backbone interact. energy: -2.832
local terms energy: -329.055734
where:
bonds (distance) C4'-P energy: -57.754
bonds (distance) P-C4' energy: -67.341
flat angles C4'-P-C4' energy: -70.303
flat angles P-C4'-P energy: -45.981
tors. eta vs tors. theta energy: -87.677
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1271.552480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.552480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.352480 (E_RNA)
where:
Base-Base interactions energy: -724.445
where: short stacking energy: -281.797
Base-Backbone interact. energy: -2.569
local terms energy: -330.338583
where:
bonds (distance) C4'-P energy: -72.772
bonds (distance) P-C4' energy: -62.650
flat angles C4'-P-C4' energy: -76.509
flat angles P-C4'-P energy: -47.788
tors. eta vs tors. theta energy: -70.621
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1191.707796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.707796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.307796 (E_RNA)
where:
Base-Base interactions energy: -682.253
where: short stacking energy: -265.342
Base-Backbone interact. energy: 3.887
local terms energy: -327.941558
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -66.946
flat angles C4'-P-C4' energy: -69.362
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -74.590
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1156.123000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.123000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.523000 (E_RNA)
where:
Base-Base interactions energy: -660.960
where: short stacking energy: -272.602
Base-Backbone interact. energy: 2.572
local terms energy: -296.134840
where:
bonds (distance) C4'-P energy: -59.795
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -73.499
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -66.289
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1151.688139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.688139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.488139 (E_RNA)
where:
Base-Base interactions energy: -668.269
where: short stacking energy: -266.216
Base-Backbone interact. energy: -1.892
local terms energy: -294.327324
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -57.983
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -63.916
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1033.796456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.796456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.596456 (E_RNA)
where:
Base-Base interactions energy: -587.925
where: short stacking energy: -236.480
Base-Backbone interact. energy: 2.543
local terms energy: -270.214588
where:
bonds (distance) C4'-P energy: -60.506
bonds (distance) P-C4' energy: -70.373
flat angles C4'-P-C4' energy: -50.911
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -48.372
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -937.409824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.409824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.809824 (E_RNA)
where:
Base-Base interactions energy: -506.958
where: short stacking energy: -204.368
Base-Backbone interact. energy: 0.921
local terms energy: -265.773111
where:
bonds (distance) C4'-P energy: -60.836
bonds (distance) P-C4' energy: -71.682
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -35.230
tors. eta vs tors. theta energy: -35.036
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1441.377381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.377381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.977381 (E_RNA)
where:
Base-Base interactions energy: -868.128
where: short stacking energy: -360.373
Base-Backbone interact. energy: -1.694
local terms energy: -368.154623
where:
bonds (distance) C4'-P energy: -69.430
bonds (distance) P-C4' energy: -65.710
flat angles C4'-P-C4' energy: -76.851
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -100.635
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1407.749317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.749317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.749317 (E_RNA)
where:
Base-Base interactions energy: -846.194
where: short stacking energy: -322.278
Base-Backbone interact. energy: 3.899
local terms energy: -349.454126
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -51.351
tors. eta vs tors. theta energy: -83.154
Dist. restrs. and SS energy: -216.000 (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: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1380.268170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.268170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.068170 (E_RNA)
where:
Base-Base interactions energy: -816.089
where: short stacking energy: -336.096
Base-Backbone interact. energy: -1.239
local terms energy: -348.740479
where:
bonds (distance) C4'-P energy: -63.127
bonds (distance) P-C4' energy: -75.734
flat angles C4'-P-C4' energy: -72.475
flat angles P-C4'-P energy: -54.186
tors. eta vs tors. theta energy: -83.219
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1308.124362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.124362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.324362 (E_RNA)
where:
Base-Base interactions energy: -778.587
where: short stacking energy: -323.828
Base-Backbone interact. energy: -1.697
local terms energy: -310.039972
where:
bonds (distance) C4'-P energy: -63.740
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -67.465
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -85.963
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1324.568334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.568334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.368334 (E_RNA)
where:
Base-Base interactions energy: -778.787
where: short stacking energy: -320.408
Base-Backbone interact. energy: -1.385
local terms energy: -348.196864
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -76.927
flat angles C4'-P-C4' energy: -72.610
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1206.499238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.499238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.099238 (E_RNA)
where:
Base-Base interactions energy: -704.290
where: short stacking energy: -292.349
Base-Backbone interact. energy: 0.126
local terms energy: -307.935204
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -72.642
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: -74.559
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1135.709716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.709716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.909716 (E_RNA)
where:
Base-Base interactions energy: -639.462
where: short stacking energy: -260.971
Base-Backbone interact. energy: 0.385
local terms energy: -314.833226
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -68.535
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -71.502
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1148.166687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.166687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.366687 (E_RNA)
where:
Base-Base interactions energy: -677.793
where: short stacking energy: -267.994
Base-Backbone interact. energy: -3.453
local terms energy: -285.120325
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -73.251
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -66.067
Dist. restrs. and SS energy: -181.800 (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: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1006.448508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.448508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.648508 (E_RNA)
where:
Base-Base interactions energy: -573.134
where: short stacking energy: -230.177
Base-Backbone interact. energy: 1.956
local terms energy: -253.470276
where:
bonds (distance) C4'-P energy: -62.106
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -58.793
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -54.349
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -922.402740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.402740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.802740 (E_RNA)
where:
Base-Base interactions energy: -523.822
where: short stacking energy: -201.991
Base-Backbone interact. energy: -0.863
local terms energy: -241.117778
where:
bonds (distance) C4'-P energy: -55.272
bonds (distance) P-C4' energy: -58.605
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -42.396
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1429.813003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.813003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.213003 (E_RNA)
where:
Base-Base interactions energy: -873.287
where: short stacking energy: -369.325
Base-Backbone interact. energy: -2.616
local terms energy: -352.309987
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -77.187
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -99.662
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1413.042836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.042836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.642836 (E_RNA)
where:
Base-Base interactions energy: -857.029
where: short stacking energy: -328.123
Base-Backbone interact. energy: -1.715
local terms energy: -341.898766
where:
bonds (distance) C4'-P energy: -62.543
bonds (distance) P-C4' energy: -72.346
flat angles C4'-P-C4' energy: -66.892
flat angles P-C4'-P energy: -58.635
tors. eta vs tors. theta energy: -81.483
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1321.625589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.625589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.225589 (E_RNA)
where:
Base-Base interactions energy: -756.735
where: short stacking energy: -315.548
Base-Backbone interact. energy: 1.054
local terms energy: -353.544121
where:
bonds (distance) C4'-P energy: -67.585
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -71.730
flat angles P-C4'-P energy: -58.279
tors. eta vs tors. theta energy: -87.216
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1345.271249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.271249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.871249 (E_RNA)
where:
Base-Base interactions energy: -779.406
where: short stacking energy: -322.710
Base-Backbone interact. energy: -0.017
local terms energy: -353.447364
where:
bonds (distance) C4'-P energy: -62.591
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -78.050
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -87.594
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1282.866316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.866316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.466316 (E_RNA)
where:
Base-Base interactions energy: -751.817
where: short stacking energy: -308.015
Base-Backbone interact. energy: -1.188
local terms energy: -335.461341
where:
bonds (distance) C4'-P energy: -63.471
bonds (distance) P-C4' energy: -58.511
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -85.131
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1242.506627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.506627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.306627 (E_RNA)
where:
Base-Base interactions energy: -735.716
where: short stacking energy: -298.209
Base-Backbone interact. energy: 5.408
local terms energy: -315.998753
where:
bonds (distance) C4'-P energy: -67.253
bonds (distance) P-C4' energy: -64.368
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -78.176
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1155.323355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.323355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.723355 (E_RNA)
where:
Base-Base interactions energy: -646.657
where: short stacking energy: -260.655
Base-Backbone interact. energy: -2.160
local terms energy: -322.907220
where:
bonds (distance) C4'-P energy: -65.879
bonds (distance) P-C4' energy: -66.701
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: -67.860
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1088.859904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.859904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.659904 (E_RNA)
where:
Base-Base interactions energy: -631.426
where: short stacking energy: -261.243
Base-Backbone interact. energy: -1.303
local terms energy: -268.930722
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -55.661
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1015.784992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.784992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.184992 (E_RNA)
where:
Base-Base interactions energy: -561.792
where: short stacking energy: -231.089
Base-Backbone interact. energy: -2.550
local terms energy: -267.842854
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -50.715
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -45.436
tors. eta vs tors. theta energy: -57.200
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -934.082113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.082113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.082113 (E_RNA)
where:
Base-Base interactions energy: -518.986
where: short stacking energy: -210.735
Base-Backbone interact. energy: -0.577
local terms energy: -252.519712
where:
bonds (distance) C4'-P energy: -63.512
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -61.653
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -34.961
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1454.358405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.358405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.558405 (E_RNA)
where:
Base-Base interactions energy: -889.016
where: short stacking energy: -371.543
Base-Backbone interact. energy: 1.391
local terms energy: -366.932838
where:
bonds (distance) C4'-P energy: -60.395
bonds (distance) P-C4' energy: -73.341
flat angles C4'-P-C4' energy: -85.205
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -98.542
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1433.735168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.735168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.335168 (E_RNA)
where:
Base-Base interactions energy: -857.231
where: short stacking energy: -344.287
Base-Backbone interact. energy: -3.927
local terms energy: -360.177195
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -75.825
flat angles C4'-P-C4' energy: -73.846
flat angles P-C4'-P energy: -54.181
tors. eta vs tors. theta energy: -87.305
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1336.568777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.568777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.768777 (E_RNA)
where:
Base-Base interactions energy: -759.780
where: short stacking energy: -310.185
Base-Backbone interact. energy: -1.254
local terms energy: -357.734962
where:
bonds (distance) C4'-P energy: -77.052
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -76.843
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -88.856
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1316.792690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.792690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.392690 (E_RNA)
where:
Base-Base interactions energy: -777.582
where: short stacking energy: -321.963
Base-Backbone interact. energy: -5.317
local terms energy: -330.493623
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -69.821
flat angles C4'-P-C4' energy: -69.573
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -88.193
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1283.242037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.242037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.242037 (E_RNA)
where:
Base-Base interactions energy: -739.661
where: short stacking energy: -301.809
Base-Backbone interact. energy: -0.706
local terms energy: -326.874754
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -80.382
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -76.312
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1252.650642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.650642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.850642 (E_RNA)
where:
Base-Base interactions energy: -739.364
where: short stacking energy: -299.446
Base-Backbone interact. energy: -2.600
local terms energy: -310.886536
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -55.178
flat angles C4'-P-C4' energy: -69.747
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -75.820
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1160.952428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.952428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.152428 (E_RNA)
where:
Base-Base interactions energy: -657.058
where: short stacking energy: -278.625
Base-Backbone interact. energy: -2.615
local terms energy: -319.479446
where:
bonds (distance) C4'-P energy: -65.953
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -67.487
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -73.201
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1091.574976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.574976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.374976 (E_RNA)
where:
Base-Base interactions energy: -638.014
where: short stacking energy: -251.592
Base-Backbone interact. energy: -2.816
local terms energy: -263.544534
where:
bonds (distance) C4'-P energy: -50.659
bonds (distance) P-C4' energy: -68.488
flat angles C4'-P-C4' energy: -54.983
flat angles P-C4'-P energy: -43.312
tors. eta vs tors. theta energy: -46.103
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1052.576392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.576392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.976392 (E_RNA)
where:
Base-Base interactions energy: -588.476
where: short stacking energy: -231.604
Base-Backbone interact. energy: 0.717
local terms energy: -281.217824
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -68.974
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -49.140
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -901.032256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.032256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.232256 (E_RNA)
where:
Base-Base interactions energy: -504.699
where: short stacking energy: -206.488
Base-Backbone interact. energy: 0.406
local terms energy: -232.939309
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -31.645
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1439.726271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.726271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.926271 (E_RNA)
where:
Base-Base interactions energy: -861.430
where: short stacking energy: -346.504
Base-Backbone interact. energy: -1.386
local terms energy: -368.110101
where:
bonds (distance) C4'-P energy: -75.330
bonds (distance) P-C4' energy: -70.196
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -44.951
tors. eta vs tors. theta energy: -93.927
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1436.611232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.611232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.011232 (E_RNA)
where:
Base-Base interactions energy: -865.560
where: short stacking energy: -344.004
Base-Backbone interact. energy: -3.103
local terms energy: -366.348046
where:
bonds (distance) C4'-P energy: -66.917
bonds (distance) P-C4' energy: -71.447
flat angles C4'-P-C4' energy: -86.056
flat angles P-C4'-P energy: -51.363
tors. eta vs tors. theta energy: -90.565
Dist. restrs. and SS energy: -201.600 (S_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: 138
Temperature: 1.000000
Total energy: -1337.134285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.134285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.334285 (E_RNA)
where:
Base-Base interactions energy: -773.761
where: short stacking energy: -320.862
Base-Backbone interact. energy: -0.074
local terms energy: -354.498536
where:
bonds (distance) C4'-P energy: -72.429
bonds (distance) P-C4' energy: -65.746
flat angles C4'-P-C4' energy: -79.138
flat angles P-C4'-P energy: -43.892
tors. eta vs tors. theta energy: -93.294
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1298.939628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.939628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.539628 (E_RNA)
where:
Base-Base interactions energy: -760.271
where: short stacking energy: -310.969
Base-Backbone interact. energy: -1.809
local terms energy: -324.459655
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -64.010
flat angles C4'-P-C4' energy: -78.889
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -76.603
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1289.906897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.906897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.506897 (E_RNA)
where:
Base-Base interactions energy: -744.273
where: short stacking energy: -301.140
Base-Backbone interact. energy: -0.436
local terms energy: -332.798490
where:
bonds (distance) C4'-P energy: -65.958
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -72.467
flat angles P-C4'-P energy: -42.953
tors. eta vs tors. theta energy: -83.630
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1247.284514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.284514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.284514 (E_RNA)
where:
Base-Base interactions energy: -723.749
where: short stacking energy: -302.949
Base-Backbone interact. energy: 0.051
local terms energy: -325.586881
where:
bonds (distance) C4'-P energy: -71.510
bonds (distance) P-C4' energy: -67.302
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -40.937
tors. eta vs tors. theta energy: -82.810
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1168.250071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.250071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.250071 (E_RNA)
where:
Base-Base interactions energy: -689.771
where: short stacking energy: -270.810
Base-Backbone interact. energy: 3.248
local terms energy: -301.727133
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -62.208
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -67.923
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1094.501231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.501231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.101231 (E_RNA)
where:
Base-Base interactions energy: -636.201
where: short stacking energy: -255.560
Base-Backbone interact. energy: -2.731
local terms energy: -270.169265
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -62.700
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1025.367238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.367238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.967238 (E_RNA)
where:
Base-Base interactions energy: -591.557
where: short stacking energy: -242.720
Base-Backbone interact. energy: -0.387
local terms energy: -257.023269
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -50.065
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -902.553889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.553889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.553889 (E_RNA)
where:
Base-Base interactions energy: -492.584
where: short stacking energy: -196.140
Base-Backbone interact. energy: -1.507
local terms energy: -246.462978
where:
bonds (distance) C4'-P energy: -43.460
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1462.863188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.863188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.263188 (E_RNA)
where:
Base-Base interactions energy: -879.805
where: short stacking energy: -342.643
Base-Backbone interact. energy: -4.151
local terms energy: -368.307711
where:
bonds (distance) C4'-P energy: -65.738
bonds (distance) P-C4' energy: -70.607
flat angles C4'-P-C4' energy: -85.302
flat angles P-C4'-P energy: -54.347
tors. eta vs tors. theta energy: -92.314
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1417.934108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.934108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.134108 (E_RNA)
where:
Base-Base interactions energy: -860.037
where: short stacking energy: -332.441
Base-Backbone interact. energy: -2.538
local terms energy: -355.558661
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -79.679
flat angles C4'-P-C4' energy: -78.372
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -84.721
Dist. restrs. and SS energy: -199.800 (S_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: 139
Temperature: 1.000000
Total energy: -1358.089090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.089090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.089090 (E_RNA)
where:
Base-Base interactions energy: -811.069
where: short stacking energy: -333.070
Base-Backbone interact. energy: -2.620
local terms energy: -337.399245
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -62.967
flat angles C4'-P-C4' energy: -73.144
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -88.176
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1301.644243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.644243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.044243 (E_RNA)
where:
Base-Base interactions energy: -732.794
where: short stacking energy: -298.666
Base-Backbone interact. energy: -1.708
local terms energy: -347.542534
where:
bonds (distance) C4'-P energy: -63.326
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -83.936
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1287.467854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.467854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.467854 (E_RNA)
where:
Base-Base interactions energy: -731.877
where: short stacking energy: -285.220
Base-Backbone interact. energy: -2.085
local terms energy: -337.505712
where:
bonds (distance) C4'-P energy: -66.673
bonds (distance) P-C4' energy: -73.365
flat angles C4'-P-C4' energy: -74.543
flat angles P-C4'-P energy: -47.453
tors. eta vs tors. theta energy: -75.472
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1200.013255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.013255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.213255 (E_RNA)
where:
Base-Base interactions energy: -687.139
where: short stacking energy: -278.772
Base-Backbone interact. energy: -3.187
local terms energy: -309.887905
where:
bonds (distance) C4'-P energy: -58.891
bonds (distance) P-C4' energy: -58.731
flat angles C4'-P-C4' energy: -73.315
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1153.357412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.357412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.757412 (E_RNA)
where:
Base-Base interactions energy: -672.410
where: short stacking energy: -269.469
Base-Backbone interact. energy: -2.640
local terms energy: -294.707048
where:
bonds (distance) C4'-P energy: -48.474
bonds (distance) P-C4' energy: -63.570
flat angles C4'-P-C4' energy: -68.355
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -75.921
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1050.841926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.841926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.241926 (E_RNA)
where:
Base-Base interactions energy: -585.197
where: short stacking energy: -239.829
Base-Backbone interact. energy: -0.523
local terms energy: -281.521714
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -66.653
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: -49.855
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1059.022475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.022475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.822475 (E_RNA)
where:
Base-Base interactions energy: -596.807
where: short stacking energy: -231.201
Base-Backbone interact. energy: -2.158
local terms energy: -281.856676
where:
bonds (distance) C4'-P energy: -51.742
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -73.038
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -985.446421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.446421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.446421 (E_RNA)
where:
Base-Base interactions energy: -582.253
where: short stacking energy: -224.267
Base-Backbone interact. energy: 1.230
local terms energy: -242.423421
where:
bonds (distance) C4'-P energy: -42.085
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -70.558
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -39.842
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1441.475233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.475233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.075233 (E_RNA)
where:
Base-Base interactions energy: -852.101
where: short stacking energy: -338.819
Base-Backbone interact. energy: -0.819
local terms energy: -376.155245
where:
bonds (distance) C4'-P energy: -73.820
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -80.032
flat angles P-C4'-P energy: -55.191
tors. eta vs tors. theta energy: -88.363
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1396.968475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.968475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.568475 (E_RNA)
where:
Base-Base interactions energy: -826.641
where: short stacking energy: -335.143
Base-Backbone interact. energy: -1.363
local terms energy: -365.564694
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -76.974
flat angles C4'-P-C4' energy: -75.425
flat angles P-C4'-P energy: -60.078
tors. eta vs tors. theta energy: -82.741
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1346.667185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.667185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.867185 (E_RNA)
where:
Base-Base interactions energy: -780.199
where: short stacking energy: -310.106
Base-Backbone interact. energy: -2.438
local terms energy: -355.230210
where:
bonds (distance) C4'-P energy: -74.809
bonds (distance) P-C4' energy: -64.310
flat angles C4'-P-C4' energy: -82.396
flat angles P-C4'-P energy: -53.034
tors. eta vs tors. theta energy: -80.682
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1296.955001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.955001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.955001 (E_RNA)
where:
Base-Base interactions energy: -752.048
where: short stacking energy: -294.956
Base-Backbone interact. energy: 0.356
local terms energy: -329.263542
where:
bonds (distance) C4'-P energy: -72.604
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -78.364
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -80.023
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1260.374210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.374210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.374210 (E_RNA)
where:
Base-Base interactions energy: -739.128
where: short stacking energy: -296.932
Base-Backbone interact. energy: -1.809
local terms energy: -321.436979
where:
bonds (distance) C4'-P energy: -66.139
bonds (distance) P-C4' energy: -69.179
flat angles C4'-P-C4' energy: -70.356
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -78.576
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1273.238665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.238665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.638665 (E_RNA)
where:
Base-Base interactions energy: -733.516
where: short stacking energy: -305.151
Base-Backbone interact. energy: -1.070
local terms energy: -328.053041
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -43.394
tors. eta vs tors. theta energy: -86.012
Dist. restrs. and SS energy: -210.600 (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: 140
Temperature: 1.200000
Total energy: -1142.280254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.280254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.480254 (E_RNA)
where:
Base-Base interactions energy: -680.417
where: short stacking energy: -277.632
Base-Backbone interact. energy: -1.127
local terms energy: -278.936193
where:
bonds (distance) C4'-P energy: -70.756
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -63.428
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -55.410
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1048.689615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.689615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.289615 (E_RNA)
where:
Base-Base interactions energy: -589.743
where: short stacking energy: -253.224
Base-Backbone interact. energy: -0.643
local terms energy: -281.902810
where:
bonds (distance) C4'-P energy: -65.518
bonds (distance) P-C4' energy: -59.222
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -54.637
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1050.280748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.280748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.880748 (E_RNA)
where:
Base-Base interactions energy: -564.547
where: short stacking energy: -229.149
Base-Backbone interact. energy: 0.855
local terms energy: -301.188414
where:
bonds (distance) C4'-P energy: -70.111
bonds (distance) P-C4' energy: -77.962
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -62.487
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -921.101049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.101049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.501049 (E_RNA)
where:
Base-Base interactions energy: -509.572
where: short stacking energy: -189.671
Base-Backbone interact. energy: 4.362
local terms energy: -259.291377
where:
bonds (distance) C4'-P energy: -53.745
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -53.836
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1450.184728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.184728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.784728 (E_RNA)
where:
Base-Base interactions energy: -874.105
where: short stacking energy: -341.402
Base-Backbone interact. energy: -5.273
local terms energy: -358.405904
where:
bonds (distance) C4'-P energy: -73.871
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -80.647
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: -82.877
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1397.341095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.341095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.141095 (E_RNA)
where:
Base-Base interactions energy: -845.565
where: short stacking energy: -324.705
Base-Backbone interact. energy: -0.868
local terms energy: -354.708857
where:
bonds (distance) C4'-P energy: -68.263
bonds (distance) P-C4' energy: -69.411
flat angles C4'-P-C4' energy: -83.127
flat angles P-C4'-P energy: -53.477
tors. eta vs tors. theta energy: -80.431
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1318.680572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.680572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.080572 (E_RNA)
where:
Base-Base interactions energy: -751.733
where: short stacking energy: -315.468
Base-Backbone interact. energy: -2.828
local terms energy: -353.519432
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -65.493
flat angles C4'-P-C4' energy: -81.660
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -89.087
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1297.672737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.672737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.272737 (E_RNA)
where:
Base-Base interactions energy: -760.079
where: short stacking energy: -304.890
Base-Backbone interact. energy: 2.267
local terms energy: -318.460999
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -73.464
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -75.876
Dist. restrs. and SS energy: -221.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1255.288231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.288231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.888231 (E_RNA)
where:
Base-Base interactions energy: -737.718
where: short stacking energy: -308.334
Base-Backbone interact. energy: 2.431
local terms energy: -325.600789
where:
bonds (distance) C4'-P energy: -64.796
bonds (distance) P-C4' energy: -56.610
flat angles C4'-P-C4' energy: -73.609
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: -81.503
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1237.576716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.576716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.776716 (E_RNA)
where:
Base-Base interactions energy: -720.693
where: short stacking energy: -292.104
Base-Backbone interact. energy: -0.737
local terms energy: -298.346910
where:
bonds (distance) C4'-P energy: -62.336
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -71.039
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1118.224338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.224338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.824338 (E_RNA)
where:
Base-Base interactions energy: -633.093
where: short stacking energy: -275.982
Base-Backbone interact. energy: -0.158
local terms energy: -299.573449
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -55.717
flat angles C4'-P-C4' energy: -71.346
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -71.455
Dist. restrs. and SS energy: -185.400 (S_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: 141
Temperature: 1.250000
Total energy: -1057.579146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.579146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.979146 (E_RNA)
where:
Base-Base interactions energy: -587.404
where: short stacking energy: -238.208
Base-Backbone interact. energy: 1.897
local terms energy: -288.471652
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -65.628
flat angles C4'-P-C4' energy: -62.215
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -56.368
Dist. restrs. and SS energy: -183.600 (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: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -993.069199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.069199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.469199 (E_RNA)
where:
Base-Base interactions energy: -567.572
where: short stacking energy: -225.339
Base-Backbone interact. energy: -1.214
local terms energy: -258.683293
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -64.309
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -44.932
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -938.178715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.178715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.378715 (E_RNA)
where:
Base-Base interactions energy: -535.293
where: short stacking energy: -216.907
Base-Backbone interact. energy: -0.095
local terms energy: -247.991444
where:
bonds (distance) C4'-P energy: -53.457
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -51.519
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1444.461011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.461011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.261011 (E_RNA)
where:
Base-Base interactions energy: -859.506
where: short stacking energy: -341.553
Base-Backbone interact. energy: -2.958
local terms energy: -376.797200
where:
bonds (distance) C4'-P energy: -82.211
bonds (distance) P-C4' energy: -74.935
flat angles C4'-P-C4' energy: -80.526
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -95.116
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1416.166154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.166154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.966154 (E_RNA)
where:
Base-Base interactions energy: -837.385
where: short stacking energy: -329.970
Base-Backbone interact. energy: -2.753
local terms energy: -361.828602
where:
bonds (distance) C4'-P energy: -76.369
bonds (distance) P-C4' energy: -68.077
flat angles C4'-P-C4' energy: -81.043
flat angles P-C4'-P energy: -56.009
tors. eta vs tors. theta energy: -80.330
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1311.754812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.754812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.154812 (E_RNA)
where:
Base-Base interactions energy: -751.311
where: short stacking energy: -292.870
Base-Backbone interact. energy: 1.906
local terms energy: -342.748938
where:
bonds (distance) C4'-P energy: -64.162
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -78.317
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -69.655
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1305.476034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.476034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.676034 (E_RNA)
where:
Base-Base interactions energy: -772.595
where: short stacking energy: -310.848
Base-Backbone interact. energy: -2.452
local terms energy: -321.629080
where:
bonds (distance) C4'-P energy: -62.123
bonds (distance) P-C4' energy: -66.187
flat angles C4'-P-C4' energy: -70.635
flat angles P-C4'-P energy: -51.850
tors. eta vs tors. theta energy: -70.834
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1265.853856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.853856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.253856 (E_RNA)
where:
Base-Base interactions energy: -721.324
where: short stacking energy: -277.355
Base-Backbone interact. energy: -2.959
local terms energy: -330.970932
where:
bonds (distance) C4'-P energy: -74.100
bonds (distance) P-C4' energy: -64.292
flat angles C4'-P-C4' energy: -77.045
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -63.319
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1197.872232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.872232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.672232 (E_RNA)
where:
Base-Base interactions energy: -699.965
where: short stacking energy: -272.404
Base-Backbone interact. energy: -2.664
local terms energy: -299.043618
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -67.609
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1102.781100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.781100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.981100 (E_RNA)
where:
Base-Base interactions energy: -621.631
where: short stacking energy: -262.806
Base-Backbone interact. energy: -0.377
local terms energy: -298.972789
where:
bonds (distance) C4'-P energy: -67.550
bonds (distance) P-C4' energy: -57.741
flat angles C4'-P-C4' energy: -64.890
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1080.408101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.408101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.208101 (E_RNA)
where:
Base-Base interactions energy: -620.086
where: short stacking energy: -230.158
Base-Backbone interact. energy: 1.712
local terms energy: -274.834018
where:
bonds (distance) C4'-P energy: -61.916
bonds (distance) P-C4' energy: -57.742
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -36.262
tors. eta vs tors. theta energy: -57.429
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -929.937731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.937731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.137731 (E_RNA)
where:
Base-Base interactions energy: -509.878
where: short stacking energy: -208.323
Base-Backbone interact. energy: 0.222
local terms energy: -256.481540
where:
bonds (distance) C4'-P energy: -59.950
bonds (distance) P-C4' energy: -62.275
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -40.361
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -948.267835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.267835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.867835 (E_RNA)
where:
Base-Base interactions energy: -518.401
where: short stacking energy: -223.645
Base-Backbone interact. energy: 0.992
local terms energy: -263.458705
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -63.059
flat angles P-C4'-P energy: -38.093
tors. eta vs tors. theta energy: -40.833
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1453.177643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.177643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.577643 (E_RNA)
where:
Base-Base interactions energy: -880.358
where: short stacking energy: -356.097
Base-Backbone interact. energy: 1.542
local terms energy: -372.761197
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -69.983
flat angles C4'-P-C4' energy: -85.006
flat angles P-C4'-P energy: -51.006
tors. eta vs tors. theta energy: -95.920
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1420.502121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.502121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.102121 (E_RNA)
where:
Base-Base interactions energy: -841.710
where: short stacking energy: -334.022
Base-Backbone interact. energy: -1.374
local terms energy: -365.018064
where:
bonds (distance) C4'-P energy: -59.725
bonds (distance) P-C4' energy: -81.427
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -98.305
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1308.823213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.823213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.423213 (E_RNA)
where:
Base-Base interactions energy: -730.401
where: short stacking energy: -304.305
Base-Backbone interact. energy: -1.167
local terms energy: -364.854938
where:
bonds (distance) C4'-P energy: -76.943
bonds (distance) P-C4' energy: -83.356
flat angles C4'-P-C4' energy: -72.328
flat angles P-C4'-P energy: -50.518
tors. eta vs tors. theta energy: -81.709
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1316.962316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.962316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.562316 (E_RNA)
where:
Base-Base interactions energy: -763.290
where: short stacking energy: -300.448
Base-Backbone interact. energy: 4.966
local terms energy: -355.237912
where:
bonds (distance) C4'-P energy: -69.348
bonds (distance) P-C4' energy: -75.198
flat angles C4'-P-C4' energy: -78.784
flat angles P-C4'-P energy: -52.466
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1284.843014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.843014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.243014 (E_RNA)
where:
Base-Base interactions energy: -739.535
where: short stacking energy: -311.199
Base-Backbone interact. energy: -2.383
local terms energy: -332.324876
where:
bonds (distance) C4'-P energy: -58.837
bonds (distance) P-C4' energy: -73.889
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -87.176
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1195.551208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.551208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.551208 (E_RNA)
where:
Base-Base interactions energy: -683.808
where: short stacking energy: -291.527
Base-Backbone interact. energy: -1.580
local terms energy: -312.163154
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -70.122
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -68.661
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1160.437105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.437105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.637105 (E_RNA)
where:
Base-Base interactions energy: -650.113
where: short stacking energy: -270.089
Base-Backbone interact. energy: -1.155
local terms energy: -327.369446
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -71.064
flat angles C4'-P-C4' energy: -78.492
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -71.461
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1093.914590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.914590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.514590 (E_RNA)
where:
Base-Base interactions energy: -623.720
where: short stacking energy: -249.213
Base-Backbone interact. energy: 1.592
local terms energy: -286.386455
where:
bonds (distance) C4'-P energy: -66.385
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -57.476
Dist. restrs. and SS energy: -185.400 (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: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -976.197478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.197478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.797478 (E_RNA)
where:
Base-Base interactions energy: -557.230
where: short stacking energy: -234.187
Base-Backbone interact. energy: -1.389
local terms energy: -259.178573
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -56.129
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -51.870
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -920.767316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.767316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.167316 (E_RNA)
where:
Base-Base interactions energy: -516.528
where: short stacking energy: -201.104
Base-Backbone interact. energy: 0.495
local terms energy: -239.134004
where:
bonds (distance) C4'-P energy: -55.537
bonds (distance) P-C4' energy: -52.745
flat angles C4'-P-C4' energy: -63.541
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -37.382
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1476.397282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.397282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.197282 (E_RNA)
where:
Base-Base interactions energy: -899.239
where: short stacking energy: -357.861
Base-Backbone interact. energy: -3.422
local terms energy: -368.536485
where:
bonds (distance) C4'-P energy: -67.387
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -81.390
flat angles P-C4'-P energy: -55.057
tors. eta vs tors. theta energy: -93.581
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1420.279704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.279704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.079704 (E_RNA)
where:
Base-Base interactions energy: -856.371
where: short stacking energy: -333.710
Base-Backbone interact. energy: -2.328
local terms energy: -347.380468
where:
bonds (distance) C4'-P energy: -61.438
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -90.824
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1344.079157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.079157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.679157 (E_RNA)
where:
Base-Base interactions energy: -781.174
where: short stacking energy: -319.263
Base-Backbone interact. energy: -2.811
local terms energy: -356.693788
where:
bonds (distance) C4'-P energy: -65.378
bonds (distance) P-C4' energy: -74.424
flat angles C4'-P-C4' energy: -78.895
flat angles P-C4'-P energy: -62.752
tors. eta vs tors. theta energy: -75.244
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1298.572031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.572031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.772031 (E_RNA)
where:
Base-Base interactions energy: -766.617
where: short stacking energy: -298.948
Base-Backbone interact. energy: -2.064
local terms energy: -312.091050
where:
bonds (distance) C4'-P energy: -50.914
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -69.067
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -76.396
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1275.044468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.044468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.444468 (E_RNA)
where:
Base-Base interactions energy: -725.127
where: short stacking energy: -298.956
Base-Backbone interact. energy: -1.350
local terms energy: -337.967337
where:
bonds (distance) C4'-P energy: -68.315
bonds (distance) P-C4' energy: -67.505
flat angles C4'-P-C4' energy: -76.598
flat angles P-C4'-P energy: -49.159
tors. eta vs tors. theta energy: -76.390
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1173.200155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.200155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.400155 (E_RNA)
where:
Base-Base interactions energy: -688.283
where: short stacking energy: -269.439
Base-Backbone interact. energy: -2.141
local terms energy: -282.976700
where:
bonds (distance) C4'-P energy: -45.503
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -69.948
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -66.032
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1116.125332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.125332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.525332 (E_RNA)
where:
Base-Base interactions energy: -623.449
where: short stacking energy: -260.935
Base-Backbone interact. energy: -2.154
local terms energy: -306.922528
where:
bonds (distance) C4'-P energy: -67.156
bonds (distance) P-C4' energy: -64.651
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -51.070
tors. eta vs tors. theta energy: -69.345
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1082.761196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.761196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.761196 (E_RNA)
where:
Base-Base interactions energy: -626.902
where: short stacking energy: -270.903
Base-Backbone interact. energy: 1.023
local terms energy: -276.882380
where:
bonds (distance) C4'-P energy: -61.680
bonds (distance) P-C4' energy: -65.157
flat angles C4'-P-C4' energy: -57.111
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: -180.000 (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: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -968.952963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.952963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.152963 (E_RNA)
where:
Base-Base interactions energy: -530.364
where: short stacking energy: -214.360
Base-Backbone interact. energy: 3.245
local terms energy: -269.033975
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -63.016
flat angles P-C4'-P energy: -40.298
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -911.024420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.024420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.424420 (E_RNA)
where:
Base-Base interactions energy: -530.675
where: short stacking energy: -201.742
Base-Backbone interact. energy: 2.863
local terms energy: -235.611939
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -61.104
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -41.787
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1453.686433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.686433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.486433 (E_RNA)
where:
Base-Base interactions energy: -883.647
where: short stacking energy: -327.183
Base-Backbone interact. energy: -1.786
local terms energy: -363.053077
where:
bonds (distance) C4'-P energy: -77.142
bonds (distance) P-C4' energy: -72.518
flat angles C4'-P-C4' energy: -75.218
flat angles P-C4'-P energy: -51.833
tors. eta vs tors. theta energy: -86.342
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1416.993261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.993261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.593261 (E_RNA)
where:
Base-Base interactions energy: -828.942
where: short stacking energy: -350.535
Base-Backbone interact. energy: -3.847
local terms energy: -371.803976
where:
bonds (distance) C4'-P energy: -70.462
bonds (distance) P-C4' energy: -72.310
flat angles C4'-P-C4' energy: -79.644
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: -97.972
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1362.511332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.511332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.111332 (E_RNA)
where:
Base-Base interactions energy: -800.997
where: short stacking energy: -326.235
Base-Backbone interact. energy: -0.113
local terms energy: -349.001025
where:
bonds (distance) C4'-P energy: -64.220
bonds (distance) P-C4' energy: -82.179
flat angles C4'-P-C4' energy: -79.374
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -80.966
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1309.728044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.728044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.728044 (E_RNA)
where:
Base-Base interactions energy: -778.402
where: short stacking energy: -294.248
Base-Backbone interact. energy: -2.128
local terms energy: -313.197860
where:
bonds (distance) C4'-P energy: -58.350
bonds (distance) P-C4' energy: -66.003
flat angles C4'-P-C4' energy: -66.241
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -83.530
Dist. restrs. and SS energy: -216.000 (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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1270.180133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.180133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.580133 (E_RNA)
where:
Base-Base interactions energy: -741.491
where: short stacking energy: -287.204
Base-Backbone interact. energy: -1.564
local terms energy: -316.524876
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -66.011
flat angles P-C4'-P energy: -54.327
tors. eta vs tors. theta energy: -71.168
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1202.952228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.952228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.752228 (E_RNA)
where:
Base-Base interactions energy: -716.016
where: short stacking energy: -295.503
Base-Backbone interact. energy: -1.137
local terms energy: -289.600093
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -56.743
flat angles C4'-P-C4' energy: -68.313
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -76.456
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1097.770770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.770770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.570770 (E_RNA)
where:
Base-Base interactions energy: -630.650
where: short stacking energy: -273.417
Base-Backbone interact. energy: 1.165
local terms energy: -290.085284
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -63.055
flat angles C4'-P-C4' energy: -62.437
flat angles P-C4'-P energy: -43.755
tors. eta vs tors. theta energy: -54.804
Dist. restrs. and SS energy: -178.200 (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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1115.601449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.601449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.201449 (E_RNA)
where:
Base-Base interactions energy: -630.770
where: short stacking energy: -255.428
Base-Backbone interact. energy: -1.558
local terms energy: -297.873580
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -67.624
flat angles C4'-P-C4' energy: -67.562
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -60.214
Dist. restrs. and SS energy: -185.400 (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: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -978.383854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.383854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.383854 (E_RNA)
where:
Base-Base interactions energy: -543.840
where: short stacking energy: -227.739
Base-Backbone interact. energy: 1.460
local terms energy: -265.004265
where:
bonds (distance) C4'-P energy: -58.602
bonds (distance) P-C4' energy: -61.374
flat angles C4'-P-C4' energy: -56.482
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -951.746310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.746310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.546310 (E_RNA)
where:
Base-Base interactions energy: -535.342
where: short stacking energy: -212.439
Base-Backbone interact. energy: -1.004
local terms energy: -264.201018
where:
bonds (distance) C4'-P energy: -61.198
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -55.253
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -42.292
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1435.786750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.786750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.386750 (E_RNA)
where:
Base-Base interactions energy: -890.456
where: short stacking energy: -342.007
Base-Backbone interact. energy: -3.209
local terms energy: -338.721073
where:
bonds (distance) C4'-P energy: -64.068
bonds (distance) P-C4' energy: -74.228
flat angles C4'-P-C4' energy: -82.175
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -82.370
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1401.828811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.828811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.228811 (E_RNA)
where:
Base-Base interactions energy: -840.285
where: short stacking energy: -329.386
Base-Backbone interact. energy: -0.420
local terms energy: -350.523585
where:
bonds (distance) C4'-P energy: -73.213
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -70.956
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -77.614
Dist. restrs. and SS energy: -210.600 (S_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: 146
Temperature: 1.000000
Total energy: -1338.079872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.079872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.879872 (E_RNA)
where:
Base-Base interactions energy: -784.730
where: short stacking energy: -319.914
Base-Backbone interact. energy: -2.493
local terms energy: -345.656090
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -71.523
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -81.227
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1311.170754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.170754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.170754 (E_RNA)
where:
Base-Base interactions energy: -775.169
where: short stacking energy: -299.383
Base-Backbone interact. energy: 0.821
local terms energy: -320.822084
where:
bonds (distance) C4'-P energy: -65.504
bonds (distance) P-C4' energy: -66.739
flat angles C4'-P-C4' energy: -76.412
flat angles P-C4'-P energy: -44.732
tors. eta vs tors. theta energy: -67.436
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1253.130112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.130112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.530112 (E_RNA)
where:
Base-Base interactions energy: -732.261
where: short stacking energy: -295.465
Base-Backbone interact. energy: 1.643
local terms energy: -320.911402
where:
bonds (distance) C4'-P energy: -71.306
bonds (distance) P-C4' energy: -58.587
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -73.357
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1248.722862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.722862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.522862 (E_RNA)
where:
Base-Base interactions energy: -712.985
where: short stacking energy: -270.771
Base-Backbone interact. energy: -2.355
local terms energy: -319.183108
where:
bonds (distance) C4'-P energy: -67.085
bonds (distance) P-C4' energy: -72.454
flat angles C4'-P-C4' energy: -65.996
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -66.347
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1134.414665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.414665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.014665 (E_RNA)
where:
Base-Base interactions energy: -641.168
where: short stacking energy: -276.472
Base-Backbone interact. energy: -1.339
local terms energy: -306.507380
where:
bonds (distance) C4'-P energy: -58.385
bonds (distance) P-C4' energy: -65.357
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -47.882
tors. eta vs tors. theta energy: -74.167
Dist. restrs. and SS energy: -185.400 (S_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: 146
Temperature: 1.250000
Total energy: -1105.331247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.331247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.531247 (E_RNA)
where:
Base-Base interactions energy: -612.208
where: short stacking energy: -250.031
Base-Backbone interact. energy: -0.739
local terms energy: -301.583484
where:
bonds (distance) C4'-P energy: -67.709
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -76.483
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -57.090
Dist. restrs. and SS energy: -190.800 (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: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -971.286431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.286431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.086431 (E_RNA)
where:
Base-Base interactions energy: -550.900
where: short stacking energy: -212.629
Base-Backbone interact. energy: 2.397
local terms energy: -262.583662
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -59.928
flat angles C4'-P-C4' energy: -65.183
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -931.938555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.938555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.538555 (E_RNA)
where:
Base-Base interactions energy: -551.009
where: short stacking energy: -201.377
Base-Backbone interact. energy: 0.054
local terms energy: -222.583790
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -72.495
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1424.857139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.857139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.857139 (E_RNA)
where:
Base-Base interactions energy: -859.300
where: short stacking energy: -337.224
Base-Backbone interact. energy: -1.284
local terms energy: -366.273165
where:
bonds (distance) C4'-P energy: -80.735
bonds (distance) P-C4' energy: -74.766
flat angles C4'-P-C4' energy: -70.407
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -92.497
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1415.359835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.359835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.159835 (E_RNA)
where:
Base-Base interactions energy: -830.373
where: short stacking energy: -314.795
Base-Backbone interact. energy: -1.711
local terms energy: -369.075913
where:
bonds (distance) C4'-P energy: -79.225
bonds (distance) P-C4' energy: -75.775
flat angles C4'-P-C4' energy: -75.288
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -85.845
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1338.970450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.970450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.370450 (E_RNA)
where:
Base-Base interactions energy: -783.319
where: short stacking energy: -314.262
Base-Backbone interact. energy: 1.953
local terms energy: -347.004261
where:
bonds (distance) C4'-P energy: -70.592
bonds (distance) P-C4' energy: -78.153
flat angles C4'-P-C4' energy: -80.964
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -72.840
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1318.418815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.418815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.618815 (E_RNA)
where:
Base-Base interactions energy: -771.079
where: short stacking energy: -304.513
Base-Backbone interact. energy: -1.752
local terms energy: -327.787974
where:
bonds (distance) C4'-P energy: -52.789
bonds (distance) P-C4' energy: -71.201
flat angles C4'-P-C4' energy: -79.373
flat angles P-C4'-P energy: -50.863
tors. eta vs tors. theta energy: -73.561
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1241.810862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.810862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.210862 (E_RNA)
where:
Base-Base interactions energy: -715.867
where: short stacking energy: -294.403
Base-Backbone interact. energy: -0.639
local terms energy: -323.705035
where:
bonds (distance) C4'-P energy: -69.237
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -74.168
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1221.533761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.533761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.533761 (E_RNA)
where:
Base-Base interactions energy: -682.467
where: short stacking energy: -263.436
Base-Backbone interact. energy: 2.089
local terms energy: -325.155958
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -73.391
flat angles C4'-P-C4' energy: -70.798
flat angles P-C4'-P energy: -47.100
tors. eta vs tors. theta energy: -74.683
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1178.306412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.306412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.906412 (E_RNA)
where:
Base-Base interactions energy: -696.205
where: short stacking energy: -294.162
Base-Backbone interact. energy: 3.925
local terms energy: -300.626551
where:
bonds (distance) C4'-P energy: -48.656
bonds (distance) P-C4' energy: -64.491
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -79.720
Dist. restrs. and SS energy: -185.400 (S_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: 147
Temperature: 1.250000
Total energy: -1067.470036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.470036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.870036 (E_RNA)
where:
Base-Base interactions energy: -598.590
where: short stacking energy: -234.881
Base-Backbone interact. energy: -1.261
local terms energy: -275.019573
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -65.447
flat angles C4'-P-C4' energy: -62.567
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -54.050
Dist. restrs. and SS energy: -192.600 (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: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -996.408255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.408255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.608255 (E_RNA)
where:
Base-Base interactions energy: -570.683
where: short stacking energy: -225.815
Base-Backbone interact. energy: -0.251
local terms energy: -270.675011
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -51.085
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -925.420760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.420760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.820760 (E_RNA)
where:
Base-Base interactions energy: -536.924
where: short stacking energy: -207.683
Base-Backbone interact. energy: -2.579
local terms energy: -229.318155
where:
bonds (distance) C4'-P energy: -45.633
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -47.350
flat angles P-C4'-P energy: -39.456
tors. eta vs tors. theta energy: -47.097
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1442.682313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.682313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.282313 (E_RNA)
where:
Base-Base interactions energy: -847.433
where: short stacking energy: -354.046
Base-Backbone interact. energy: -2.108
local terms energy: -389.740848
where:
bonds (distance) C4'-P energy: -79.907
bonds (distance) P-C4' energy: -75.956
flat angles C4'-P-C4' energy: -76.927
flat angles P-C4'-P energy: -59.240
tors. eta vs tors. theta energy: -97.710
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1429.416312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.416312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.216312 (E_RNA)
where:
Base-Base interactions energy: -870.594
where: short stacking energy: -341.689
Base-Backbone interact. energy: -1.641
local terms energy: -342.981535
where:
bonds (distance) C4'-P energy: -62.609
bonds (distance) P-C4' energy: -74.482
flat angles C4'-P-C4' energy: -83.479
flat angles P-C4'-P energy: -42.458
tors. eta vs tors. theta energy: -79.953
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1357.851450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.851450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.451450 (E_RNA)
where:
Base-Base interactions energy: -821.818
where: short stacking energy: -304.340
Base-Backbone interact. energy: -0.401
local terms energy: -323.231485
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -73.450
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: -75.318
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1338.467047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.467047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.867047 (E_RNA)
where:
Base-Base interactions energy: -796.051
where: short stacking energy: -307.562
Base-Backbone interact. energy: 0.316
local terms energy: -332.131966
where:
bonds (distance) C4'-P energy: -58.366
bonds (distance) P-C4' energy: -76.268
flat angles C4'-P-C4' energy: -75.836
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: -75.684
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1286.798865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.798865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.198865 (E_RNA)
where:
Base-Base interactions energy: -716.778
where: short stacking energy: -299.529
Base-Backbone interact. energy: -1.058
local terms energy: -358.362726
where:
bonds (distance) C4'-P energy: -68.262
bonds (distance) P-C4' energy: -67.901
flat angles C4'-P-C4' energy: -82.170
flat angles P-C4'-P energy: -52.683
tors. eta vs tors. theta energy: -87.346
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1199.697766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.697766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.497766 (E_RNA)
where:
Base-Base interactions energy: -689.502
where: short stacking energy: -271.552
Base-Backbone interact. energy: -5.438
local terms energy: -308.558336
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -52.862
flat angles C4'-P-C4' energy: -73.302
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -67.764
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1152.959352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.959352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.559352 (E_RNA)
where:
Base-Base interactions energy: -660.163
where: short stacking energy: -272.728
Base-Backbone interact. energy: -0.233
local terms energy: -307.163250
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -68.624
flat angles P-C4'-P energy: -39.851
tors. eta vs tors. theta energy: -68.238
Dist. restrs. and SS energy: -185.400 (S_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: 148
Temperature: 1.250000
Total energy: -1112.668384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.668384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.668384 (E_RNA)
where:
Base-Base interactions energy: -633.111
where: short stacking energy: -248.622
Base-Backbone interact. energy: -0.824
local terms energy: -280.733419
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -69.686
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -49.715
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -987.619136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.619136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.619136 (E_RNA)
where:
Base-Base interactions energy: -567.885
where: short stacking energy: -223.933
Base-Backbone interact. energy: -1.051
local terms energy: -256.683317
where:
bonds (distance) C4'-P energy: -58.842
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -61.858
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -43.513
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -884.784179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.784179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.984179 (E_RNA)
where:
Base-Base interactions energy: -509.506
where: short stacking energy: -200.061
Base-Backbone interact. energy: 1.247
local terms energy: -221.724966
where:
bonds (distance) C4'-P energy: -45.587
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -58.099
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1444.657328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.657328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.057328 (E_RNA)
where:
Base-Base interactions energy: -856.604
where: short stacking energy: -352.643
Base-Backbone interact. energy: -0.482
local terms energy: -385.970733
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -81.470
flat angles C4'-P-C4' energy: -82.555
flat angles P-C4'-P energy: -51.543
tors. eta vs tors. theta energy: -100.650
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1415.554667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.554667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.354667 (E_RNA)
where:
Base-Base interactions energy: -839.336
where: short stacking energy: -335.434
Base-Backbone interact. energy: -2.492
local terms energy: -359.526931
where:
bonds (distance) C4'-P energy: -66.329
bonds (distance) P-C4' energy: -66.923
flat angles C4'-P-C4' energy: -84.420
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -91.573
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1361.978484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.978484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.978484 (E_RNA)
where:
Base-Base interactions energy: -797.500
where: short stacking energy: -302.002
Base-Backbone interact. energy: -0.796
local terms energy: -347.682536
where:
bonds (distance) C4'-P energy: -76.313
bonds (distance) P-C4' energy: -74.791
flat angles C4'-P-C4' energy: -75.769
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -77.754
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1343.706158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.706158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.906158 (E_RNA)
where:
Base-Base interactions energy: -803.209
where: short stacking energy: -320.089
Base-Backbone interact. energy: 6.220
local terms energy: -337.916967
where:
bonds (distance) C4'-P energy: -60.036
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -75.905
flat angles P-C4'-P energy: -51.759
tors. eta vs tors. theta energy: -82.445
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1265.941238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.941238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.741238 (E_RNA)
where:
Base-Base interactions energy: -741.376
where: short stacking energy: -314.519
Base-Backbone interact. energy: -4.481
local terms energy: -305.884783
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -79.529
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1169.943227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.943227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.343227 (E_RNA)
where:
Base-Base interactions energy: -652.434
where: short stacking energy: -266.844
Base-Backbone interact. energy: 2.590
local terms energy: -327.499001
where:
bonds (distance) C4'-P energy: -73.943
bonds (distance) P-C4' energy: -63.468
flat angles C4'-P-C4' energy: -76.692
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -63.793
Dist. restrs. and SS energy: -192.600 (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: 149
Temperature: 1.200000
Total energy: -1147.846497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.846497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.646497 (E_RNA)
where:
Base-Base interactions energy: -648.884
where: short stacking energy: -286.681
Base-Backbone interact. energy: -2.241
local terms energy: -309.521080
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -73.292
flat angles P-C4'-P energy: -44.197
tors. eta vs tors. theta energy: -72.443
Dist. restrs. and SS energy: -187.200 (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: 149
Temperature: 1.250000
Total energy: -1087.445032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.445032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.245032 (E_RNA)
where:
Base-Base interactions energy: -622.652
where: short stacking energy: -249.063
Base-Backbone interact. energy: 3.352
local terms energy: -280.945571
where:
bonds (distance) C4'-P energy: -58.867
bonds (distance) P-C4' energy: -65.938
flat angles C4'-P-C4' energy: -64.538
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -65.786
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -998.282987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.282987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.682987 (E_RNA)
where:
Base-Base interactions energy: -581.829
where: short stacking energy: -236.152
Base-Backbone interact. energy: -0.388
local terms energy: -250.466006
where:
bonds (distance) C4'-P energy: -58.614
bonds (distance) P-C4' energy: -54.711
flat angles C4'-P-C4' energy: -60.352
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -37.614
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -904.800994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.800994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.400994 (E_RNA)
where:
Base-Base interactions energy: -517.651
where: short stacking energy: -202.349
Base-Backbone interact. energy: -0.894
local terms energy: -227.855579
where:
bonds (distance) C4'-P energy: -57.891
bonds (distance) P-C4' energy: -55.686
flat angles C4'-P-C4' energy: -57.460
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -27.784
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1447.148926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.148926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.148926 (E_RNA)
where:
Base-Base interactions energy: -868.858
where: short stacking energy: -354.977
Base-Backbone interact. energy: 5.195
local terms energy: -385.485636
where:
bonds (distance) C4'-P energy: -69.775
bonds (distance) P-C4' energy: -80.133
flat angles C4'-P-C4' energy: -82.512
flat angles P-C4'-P energy: -57.838
tors. eta vs tors. theta energy: -95.227
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1403.416369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.416369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.016369 (E_RNA)
where:
Base-Base interactions energy: -845.572
where: short stacking energy: -327.917
Base-Backbone interact. energy: 0.128
local terms energy: -345.572087
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -66.743
flat angles C4'-P-C4' energy: -74.752
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -81.961
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1364.780300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.780300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.980300 (E_RNA)
where:
Base-Base interactions energy: -806.052
where: short stacking energy: -316.940
Base-Backbone interact. energy: -0.590
local terms energy: -349.338061
where:
bonds (distance) C4'-P energy: -64.757
bonds (distance) P-C4' energy: -71.080
flat angles C4'-P-C4' energy: -73.778
flat angles P-C4'-P energy: -57.897
tors. eta vs tors. theta energy: -81.826
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1338.040285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.040285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.840285 (E_RNA)
where:
Base-Base interactions energy: -799.633
where: short stacking energy: -304.454
Base-Backbone interact. energy: 2.327
local terms energy: -335.534702
where:
bonds (distance) C4'-P energy: -67.736
bonds (distance) P-C4' energy: -75.802
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -75.168
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1230.058840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.058840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.258840 (E_RNA)
where:
Base-Base interactions energy: -722.662
where: short stacking energy: -295.659
Base-Backbone interact. energy: 1.133
local terms energy: -290.729735
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -64.691
flat angles C4'-P-C4' energy: -68.905
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -57.055
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1200.015579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.015579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.015579 (E_RNA)
where:
Base-Base interactions energy: -693.820
where: short stacking energy: -286.400
Base-Backbone interact. energy: 0.492
local terms energy: -308.687769
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -58.556
flat angles C4'-P-C4' energy: -72.864
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -74.995
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1126.981413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.581413 (E_RNA)
where:
Base-Base interactions energy: -635.007
where: short stacking energy: -275.080
Base-Backbone interact. energy: 5.530
local terms energy: -312.105220
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -57.945
flat angles C4'-P-C4' energy: -74.245
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -73.765
Dist. restrs. and SS energy: -185.400 (S_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: 150
Temperature: 1.250000
Total energy: -1099.824434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.824434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.624434 (E_RNA)
where:
Base-Base interactions energy: -643.212
where: short stacking energy: -259.201
Base-Backbone interact. energy: 2.732
local terms energy: -272.144905
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -63.712
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -62.133
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -975.203896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.203896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.003896 (E_RNA)
where:
Base-Base interactions energy: -564.654
where: short stacking energy: -237.564
Base-Backbone interact. energy: 0.704
local terms energy: -251.053880
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: -160.200 (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: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -902.190910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.190910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.190910 (E_RNA)
where:
Base-Base interactions energy: -515.775
where: short stacking energy: -202.696
Base-Backbone interact. energy: -1.020
local terms energy: -223.395684
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -58.075
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1451.943066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.943066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.743066 (E_RNA)
where:
Base-Base interactions energy: -864.825
where: short stacking energy: -345.691
Base-Backbone interact. energy: -1.993
local terms energy: -379.925524
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -76.696
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -56.156
tors. eta vs tors. theta energy: -98.355
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1411.173639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.173639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.173639 (E_RNA)
where:
Base-Base interactions energy: -841.875
where: short stacking energy: -347.728
Base-Backbone interact. energy: 0.270
local terms energy: -353.568032
where:
bonds (distance) C4'-P energy: -71.585
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -84.252
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1349.695948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.695948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.295948 (E_RNA)
where:
Base-Base interactions energy: -784.495
where: short stacking energy: -302.085
Base-Backbone interact. energy: -1.281
local terms energy: -351.520656
where:
bonds (distance) C4'-P energy: -72.488
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -47.772
tors. eta vs tors. theta energy: -81.488
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1349.338130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.538130 (E_RNA)
where:
Base-Base interactions energy: -795.059
where: short stacking energy: -316.680
Base-Backbone interact. energy: -2.616
local terms energy: -342.863380
where:
bonds (distance) C4'-P energy: -63.574
bonds (distance) P-C4' energy: -74.358
flat angles C4'-P-C4' energy: -71.364
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -80.093
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1244.345380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.345380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.145380 (E_RNA)
where:
Base-Base interactions energy: -691.446
where: short stacking energy: -274.215
Base-Backbone interact. energy: -1.787
local terms energy: -336.911994
where:
bonds (distance) C4'-P energy: -71.108
bonds (distance) P-C4' energy: -69.180
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -53.473
tors. eta vs tors. theta energy: -70.162
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1201.394672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.394672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.594672 (E_RNA)
where:
Base-Base interactions energy: -709.286
where: short stacking energy: -291.052
Base-Backbone interact. energy: 1.915
local terms energy: -294.224158
where:
bonds (distance) C4'-P energy: -65.208
bonds (distance) P-C4' energy: -69.353
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -64.893
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1098.868767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.868767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.068767 (E_RNA)
where:
Base-Base interactions energy: -647.913
where: short stacking energy: -262.142
Base-Backbone interact. energy: 0.066
local terms energy: -269.221650
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -58.410
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1085.930452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.930452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.130452 (E_RNA)
where:
Base-Base interactions energy: -615.872
where: short stacking energy: -233.380
Base-Backbone interact. energy: -2.030
local terms energy: -277.228119
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -63.902
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -42.939
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: -190.800 (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: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -930.921510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.921510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.921510 (E_RNA)
where:
Base-Base interactions energy: -511.429
where: short stacking energy: -213.613
Base-Backbone interact. energy: -1.732
local terms energy: -264.760656
where:
bonds (distance) C4'-P energy: -52.211
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -49.244
tors. eta vs tors. theta energy: -34.828
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -953.012048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.012048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.412048 (E_RNA)
where:
Base-Base interactions energy: -543.082
where: short stacking energy: -228.651
Base-Backbone interact. energy: 1.589
local terms energy: -254.919221
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -48.525
tors. eta vs tors. theta energy: -47.815
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1449.114267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.114267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.714267 (E_RNA)
where:
Base-Base interactions energy: -873.079
where: short stacking energy: -370.762
Base-Backbone interact. energy: -1.948
local terms energy: -370.687248
where:
bonds (distance) C4'-P energy: -65.599
bonds (distance) P-C4' energy: -74.498
flat angles C4'-P-C4' energy: -79.757
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -101.899
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1404.951760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.951760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.751760 (E_RNA)
where:
Base-Base interactions energy: -838.349
where: short stacking energy: -324.412
Base-Backbone interact. energy: -0.876
local terms energy: -351.527302
where:
bonds (distance) C4'-P energy: -71.568
bonds (distance) P-C4' energy: -67.933
flat angles C4'-P-C4' energy: -81.012
flat angles P-C4'-P energy: -52.966
tors. eta vs tors. theta energy: -78.049
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1361.060812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.060812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.660812 (E_RNA)
where:
Base-Base interactions energy: -807.082
where: short stacking energy: -311.184
Base-Backbone interact. energy: -1.450
local terms energy: -340.128834
where:
bonds (distance) C4'-P energy: -61.411
bonds (distance) P-C4' energy: -68.048
flat angles C4'-P-C4' energy: -84.250
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -75.188
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1350.258296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.258296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.058296 (E_RNA)
where:
Base-Base interactions energy: -839.106
where: short stacking energy: -316.435
Base-Backbone interact. energy: -2.478
local terms energy: -303.473922
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -56.956
flat angles C4'-P-C4' energy: -64.992
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -80.133
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1240.826752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.826752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.226752 (E_RNA)
where:
Base-Base interactions energy: -724.553
where: short stacking energy: -297.902
Base-Backbone interact. energy: -0.169
local terms energy: -314.504402
where:
bonds (distance) C4'-P energy: -54.613
bonds (distance) P-C4' energy: -68.971
flat angles C4'-P-C4' energy: -77.843
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -76.213
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1229.774102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.774102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.574102 (E_RNA)
where:
Base-Base interactions energy: -681.828
where: short stacking energy: -255.288
Base-Backbone interact. energy: -1.404
local terms energy: -332.341679
where:
bonds (distance) C4'-P energy: -71.236
bonds (distance) P-C4' energy: -71.217
flat angles C4'-P-C4' energy: -68.453
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -62.650
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1088.800300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.800300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.400300 (E_RNA)
where:
Base-Base interactions energy: -624.283
where: short stacking energy: -239.441
Base-Backbone interact. energy: 1.783
local terms energy: -280.900317
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -64.585
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -54.258
Dist. restrs. and SS energy: -185.400 (S_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: 152
Temperature: 1.250000
Total energy: -1089.896528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.896528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.096528 (E_RNA)
where:
Base-Base interactions energy: -627.237
where: short stacking energy: -258.889
Base-Backbone interact. energy: -1.409
local terms energy: -270.450246
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -71.078
flat angles C4'-P-C4' energy: -61.161
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -50.932
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -965.681617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.681617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.881617 (E_RNA)
where:
Base-Base interactions energy: -559.490
where: short stacking energy: -226.375
Base-Backbone interact. energy: -1.875
local terms energy: -240.516654
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -55.036
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -926.221951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.221951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.021951 (E_RNA)
where:
Base-Base interactions energy: -511.971
where: short stacking energy: -200.460
Base-Backbone interact. energy: 1.186
local terms energy: -237.237146
where:
bonds (distance) C4'-P energy: -65.081
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -42.562
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1451.615105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.615105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.015105 (E_RNA)
where:
Base-Base interactions energy: -876.984
where: short stacking energy: -359.430
Base-Backbone interact. energy: -1.950
local terms energy: -371.080929
where:
bonds (distance) C4'-P energy: -63.102
bonds (distance) P-C4' energy: -73.613
flat angles C4'-P-C4' energy: -80.729
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -103.493
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1394.647553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.647553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.047553 (E_RNA)
where:
Base-Base interactions energy: -828.560
where: short stacking energy: -308.245
Base-Backbone interact. energy: -1.071
local terms energy: -354.416562
where:
bonds (distance) C4'-P energy: -72.359
bonds (distance) P-C4' energy: -76.804
flat angles C4'-P-C4' energy: -77.051
flat angles P-C4'-P energy: -50.745
tors. eta vs tors. theta energy: -77.458
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1336.753427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.753427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.153427 (E_RNA)
where:
Base-Base interactions energy: -795.874
where: short stacking energy: -302.193
Base-Backbone interact. energy: 2.828
local terms energy: -333.107291
where:
bonds (distance) C4'-P energy: -62.990
bonds (distance) P-C4' energy: -75.684
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -49.167
tors. eta vs tors. theta energy: -62.810
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1357.779216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.779216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.979216 (E_RNA)
where:
Base-Base interactions energy: -823.916
where: short stacking energy: -309.339
Base-Backbone interact. energy: 2.112
local terms energy: -327.175212
where:
bonds (distance) C4'-P energy: -66.290
bonds (distance) P-C4' energy: -64.324
flat angles C4'-P-C4' energy: -69.286
flat angles P-C4'-P energy: -47.329
tors. eta vs tors. theta energy: -79.947
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1221.564353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.564353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.364353 (E_RNA)
where:
Base-Base interactions energy: -711.937
where: short stacking energy: -285.384
Base-Backbone interact. energy: -3.096
local terms energy: -310.331234
where:
bonds (distance) C4'-P energy: -63.821
bonds (distance) P-C4' energy: -62.829
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -79.926
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1215.017743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.017743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.217743 (E_RNA)
where:
Base-Base interactions energy: -691.176
where: short stacking energy: -259.350
Base-Backbone interact. energy: 0.766
local terms energy: -306.808016
where:
bonds (distance) C4'-P energy: -65.767
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -63.545
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -62.019
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1098.819268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.819268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.419268 (E_RNA)
where:
Base-Base interactions energy: -625.747
where: short stacking energy: -243.298
Base-Backbone interact. energy: 0.321
local terms energy: -287.992823
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -70.666
flat angles C4'-P-C4' energy: -66.671
flat angles P-C4'-P energy: -39.058
tors. eta vs tors. theta energy: -60.256
Dist. restrs. and SS energy: -185.400 (S_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: 153
Temperature: 1.250000
Total energy: -1095.931709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.931709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.331709 (E_RNA)
where:
Base-Base interactions energy: -615.908
where: short stacking energy: -244.340
Base-Backbone interact. energy: -1.068
local terms energy: -286.355114
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -69.435
flat angles C4'-P-C4' energy: -76.019
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -54.308
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -971.870622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.870622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.470622 (E_RNA)
where:
Base-Base interactions energy: -549.479
where: short stacking energy: -227.540
Base-Backbone interact. energy: -3.796
local terms energy: -260.195599
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -61.158
flat angles C4'-P-C4' energy: -66.694
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -43.881
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -964.916932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.916932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.516932 (E_RNA)
where:
Base-Base interactions energy: -523.964
where: short stacking energy: -225.536
Base-Backbone interact. energy: -2.418
local terms energy: -280.135301
where:
bonds (distance) C4'-P energy: -65.603
bonds (distance) P-C4' energy: -59.951
flat angles C4'-P-C4' energy: -64.037
flat angles P-C4'-P energy: -38.177
tors. eta vs tors. theta energy: -52.367
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1437.877997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.877997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.477997 (E_RNA)
where:
Base-Base interactions energy: -867.073
where: short stacking energy: -365.467
Base-Backbone interact. energy: -0.421
local terms energy: -366.983727
where:
bonds (distance) C4'-P energy: -69.388
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -85.186
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -97.340
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1404.066746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.066746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.866746 (E_RNA)
where:
Base-Base interactions energy: -838.286
where: short stacking energy: -325.543
Base-Backbone interact. energy: -1.688
local terms energy: -349.892986
where:
bonds (distance) C4'-P energy: -71.961
bonds (distance) P-C4' energy: -76.737
flat angles C4'-P-C4' energy: -72.181
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -78.211
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1390.756360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.756360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.956360 (E_RNA)
where:
Base-Base interactions energy: -832.804
where: short stacking energy: -307.141
Base-Backbone interact. energy: -2.369
local terms energy: -346.783326
where:
bonds (distance) C4'-P energy: -72.925
bonds (distance) P-C4' energy: -74.511
flat angles C4'-P-C4' energy: -79.067
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1321.612229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.612229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.612229 (E_RNA)
where:
Base-Base interactions energy: -763.400
where: short stacking energy: -308.369
Base-Backbone interact. energy: -2.586
local terms energy: -339.625895
where:
bonds (distance) C4'-P energy: -58.816
bonds (distance) P-C4' energy: -69.785
flat angles C4'-P-C4' energy: -75.812
flat angles P-C4'-P energy: -54.585
tors. eta vs tors. theta energy: -80.628
Dist. restrs. and SS energy: -216.000 (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: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1245.014194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.014194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.814194 (E_RNA)
where:
Base-Base interactions energy: -706.668
where: short stacking energy: -277.207
Base-Backbone interact. energy: -2.905
local terms energy: -321.240740
where:
bonds (distance) C4'-P energy: -65.301
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -74.528
flat angles P-C4'-P energy: -54.641
tors. eta vs tors. theta energy: -70.791
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1218.026968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.026968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.226968 (E_RNA)
where:
Base-Base interactions energy: -721.695
where: short stacking energy: -279.072
Base-Backbone interact. energy: -1.541
local terms energy: -294.990798
where:
bonds (distance) C4'-P energy: -57.307
bonds (distance) P-C4' energy: -62.862
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -71.606
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1139.464642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.464642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.264642 (E_RNA)
where:
Base-Base interactions energy: -655.124
where: short stacking energy: -276.450
Base-Backbone interact. energy: -1.827
local terms energy: -295.313667
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -77.737
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -63.104
Dist. restrs. and SS energy: -187.200 (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: 154
Temperature: 1.250000
Total energy: -1085.657983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.657983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.857983 (E_RNA)
where:
Base-Base interactions energy: -601.296
where: short stacking energy: -245.500
Base-Backbone interact. energy: -1.204
local terms energy: -292.357639
where:
bonds (distance) C4'-P energy: -64.663
bonds (distance) P-C4' energy: -56.907
flat angles C4'-P-C4' energy: -74.281
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -55.702
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -996.074633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.074633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.074633 (E_RNA)
where:
Base-Base interactions energy: -541.990
where: short stacking energy: -224.374
Base-Backbone interact. energy: -0.331
local terms energy: -291.754304
where:
bonds (distance) C4'-P energy: -66.721
bonds (distance) P-C4' energy: -65.104
flat angles C4'-P-C4' energy: -59.562
flat angles P-C4'-P energy: -41.781
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -933.911573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.911573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.711573 (E_RNA)
where:
Base-Base interactions energy: -503.625
where: short stacking energy: -196.038
Base-Backbone interact. energy: 3.182
local terms energy: -255.268477
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -68.693
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1428.225202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.225202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.825202 (E_RNA)
where:
Base-Base interactions energy: -851.726
where: short stacking energy: -344.081
Base-Backbone interact. energy: -2.170
local terms energy: -370.928710
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -84.639
flat angles P-C4'-P energy: -48.805
tors. eta vs tors. theta energy: -95.997
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1414.579147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.579147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.779147 (E_RNA)
where:
Base-Base interactions energy: -855.721
where: short stacking energy: -339.562
Base-Backbone interact. energy: -1.856
local terms energy: -348.201418
where:
bonds (distance) C4'-P energy: -77.852
bonds (distance) P-C4' energy: -62.875
flat angles C4'-P-C4' energy: -73.599
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -79.910
Dist. restrs. and SS energy: -208.800 (S_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: 155
Temperature: 1.000000
Total energy: -1396.891268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.891268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.091268 (E_RNA)
where:
Base-Base interactions energy: -848.010
where: short stacking energy: -321.468
Base-Backbone interact. energy: 0.041
local terms energy: -340.122162
where:
bonds (distance) C4'-P energy: -66.698
bonds (distance) P-C4' energy: -66.262
flat angles C4'-P-C4' energy: -73.065
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1284.596274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.596274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.596274 (E_RNA)
where:
Base-Base interactions energy: -732.843
where: short stacking energy: -302.340
Base-Backbone interact. energy: -3.449
local terms energy: -332.304026
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -69.619
flat angles C4'-P-C4' energy: -81.287
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -74.769
Dist. restrs. and SS energy: -216.000 (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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1257.479401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.479401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.279401 (E_RNA)
where:
Base-Base interactions energy: -723.289
where: short stacking energy: -297.676
Base-Backbone interact. energy: -1.690
local terms energy: -318.300995
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -63.708
flat angles C4'-P-C4' energy: -74.347
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: -69.238
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1258.527913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.527913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.927913 (E_RNA)
where:
Base-Base interactions energy: -726.464
where: short stacking energy: -279.565
Base-Backbone interact. energy: 0.973
local terms energy: -331.436958
where:
bonds (distance) C4'-P energy: -77.259
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -84.205
Dist. restrs. and SS energy: -201.600 (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: 155
Temperature: 1.200000
Total energy: -1145.289104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.289104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.889104 (E_RNA)
where:
Base-Base interactions energy: -651.617
where: short stacking energy: -274.984
Base-Backbone interact. energy: -0.844
local terms energy: -307.427993
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -67.849
flat angles C4'-P-C4' energy: -66.766
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: -185.400 (S_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: 155
Temperature: 1.250000
Total energy: -1113.086420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.086420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.886420 (E_RNA)
where:
Base-Base interactions energy: -614.569
where: short stacking energy: -241.906
Base-Backbone interact. energy: 1.616
local terms energy: -312.933178
where:
bonds (distance) C4'-P energy: -68.112
bonds (distance) P-C4' energy: -80.283
flat angles C4'-P-C4' energy: -73.817
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -49.347
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -986.714116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.714116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.514116 (E_RNA)
where:
Base-Base interactions energy: -563.014
where: short stacking energy: -230.198
Base-Backbone interact. energy: -0.366
local terms energy: -263.133456
where:
bonds (distance) C4'-P energy: -60.446
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -42.707
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -964.108042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.108042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.108042 (E_RNA)
where:
Base-Base interactions energy: -552.799
where: short stacking energy: -224.818
Base-Backbone interact. energy: -0.884
local terms energy: -230.425221
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -58.402
flat angles C4'-P-C4' energy: -44.560
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1446.617598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.617598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.217598 (E_RNA)
where:
Base-Base interactions energy: -866.334
where: short stacking energy: -344.674
Base-Backbone interact. energy: -1.430
local terms energy: -375.453467
where:
bonds (distance) C4'-P energy: -76.970
bonds (distance) P-C4' energy: -73.088
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -52.182
tors. eta vs tors. theta energy: -95.320
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1416.941927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.941927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.941927 (E_RNA)
where:
Base-Base interactions energy: -865.517
where: short stacking energy: -342.510
Base-Backbone interact. energy: 0.249
local terms energy: -344.673584
where:
bonds (distance) C4'-P energy: -66.989
bonds (distance) P-C4' energy: -68.209
flat angles C4'-P-C4' energy: -81.450
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -82.470
Dist. restrs. and SS energy: -207.000 (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: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1402.666021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.666021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.266021 (E_RNA)
where:
Base-Base interactions energy: -840.256
where: short stacking energy: -322.342
Base-Backbone interact. energy: -2.451
local terms energy: -347.559111
where:
bonds (distance) C4'-P energy: -65.821
bonds (distance) P-C4' energy: -67.401
flat angles C4'-P-C4' energy: -79.715
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -91.927
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1282.904231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.904231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.504231 (E_RNA)
where:
Base-Base interactions energy: -729.050
where: short stacking energy: -290.397
Base-Backbone interact. energy: -0.826
local terms energy: -340.627978
where:
bonds (distance) C4'-P energy: -71.659
bonds (distance) P-C4' energy: -69.398
flat angles C4'-P-C4' energy: -76.871
flat angles P-C4'-P energy: -53.576
tors. eta vs tors. theta energy: -69.123
Dist. restrs. and SS energy: -212.400 (S_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: 156
Temperature: 1.100000
Total energy: -1274.075382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.075382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.475382 (E_RNA)
where:
Base-Base interactions energy: -745.930
where: short stacking energy: -309.565
Base-Backbone interact. energy: -4.819
local terms energy: -321.726579
where:
bonds (distance) C4'-P energy: -52.612
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -69.689
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -84.911
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1222.543459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.543459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.343459 (E_RNA)
where:
Base-Base interactions energy: -682.409
where: short stacking energy: -267.669
Base-Backbone interact. energy: -2.393
local terms energy: -323.541488
where:
bonds (distance) C4'-P energy: -63.177
bonds (distance) P-C4' energy: -65.708
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -46.447
tors. eta vs tors. theta energy: -71.503
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1156.969952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.969952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.969952 (E_RNA)
where:
Base-Base interactions energy: -672.899
where: short stacking energy: -279.640
Base-Backbone interact. energy: 0.143
local terms energy: -304.213445
where:
bonds (distance) C4'-P energy: -64.579
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -65.933
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: -62.650
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1082.280721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.280721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.280721 (E_RNA)
where:
Base-Base interactions energy: -592.157
where: short stacking energy: -225.647
Base-Backbone interact. energy: 1.413
local terms energy: -293.536745
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -73.068
flat angles P-C4'-P energy: -47.757
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -989.341915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.341915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.541915 (E_RNA)
where:
Base-Base interactions energy: -552.304
where: short stacking energy: -226.341
Base-Backbone interact. energy: 0.476
local terms energy: -264.713136
where:
bonds (distance) C4'-P energy: -57.253
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -56.352
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -55.757
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -932.965185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.965185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.565185 (E_RNA)
where:
Base-Base interactions energy: -540.555
where: short stacking energy: -198.116
Base-Backbone interact. energy: 0.486
local terms energy: -234.496039
where:
bonds (distance) C4'-P energy: -63.922
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1455.650339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.650339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.450339 (E_RNA)
where:
Base-Base interactions energy: -858.003
where: short stacking energy: -347.101
Base-Backbone interact. energy: -1.730
local terms energy: -390.717482
where:
bonds (distance) C4'-P energy: -74.139
bonds (distance) P-C4' energy: -72.369
flat angles C4'-P-C4' energy: -88.190
flat angles P-C4'-P energy: -61.730
tors. eta vs tors. theta energy: -94.289
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1418.435468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.435468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.635468 (E_RNA)
where:
Base-Base interactions energy: -841.223
where: short stacking energy: -321.692
Base-Backbone interact. energy: -1.947
local terms energy: -366.464840
where:
bonds (distance) C4'-P energy: -77.574
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -52.594
tors. eta vs tors. theta energy: -85.969
Dist. restrs. and SS energy: -208.800 (S_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: 157
Temperature: 1.000000
Total energy: -1406.424652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.424652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.824652 (E_RNA)
where:
Base-Base interactions energy: -839.372
where: short stacking energy: -334.757
Base-Backbone interact. energy: 0.533
local terms energy: -356.985623
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -81.084
flat angles C4'-P-C4' energy: -71.295
flat angles P-C4'-P energy: -52.072
tors. eta vs tors. theta energy: -88.587
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1302.184411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.184411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.184411 (E_RNA)
where:
Base-Base interactions energy: -754.496
where: short stacking energy: -288.736
Base-Backbone interact. energy: -4.149
local terms energy: -345.539394
where:
bonds (distance) C4'-P energy: -69.473
bonds (distance) P-C4' energy: -75.244
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -78.283
Dist. restrs. and SS energy: -198.000 (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: 157
Temperature: 1.100000
Total energy: -1270.428865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.428865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.028865 (E_RNA)
where:
Base-Base interactions energy: -743.769
where: short stacking energy: -304.572
Base-Backbone interact. energy: -0.378
local terms energy: -313.881647
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -71.958
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -73.065
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1190.285981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.285981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.485981 (E_RNA)
where:
Base-Base interactions energy: -683.724
where: short stacking energy: -293.661
Base-Backbone interact. energy: -3.319
local terms energy: -321.443319
where:
bonds (distance) C4'-P energy: -72.021
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -71.876
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -66.757
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1193.020793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.020793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.220793 (E_RNA)
where:
Base-Base interactions energy: -691.570
where: short stacking energy: -262.582
Base-Backbone interact. energy: -1.391
local terms energy: -291.259672
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -66.957
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: -63.469
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1022.946624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.946624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.946624 (E_RNA)
where:
Base-Base interactions energy: -562.237
where: short stacking energy: -229.909
Base-Backbone interact. energy: -2.122
local terms energy: -278.587125
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -72.684
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -46.773
Dist. restrs. and SS energy: -180.000 (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: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1085.520803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.520803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.120803 (E_RNA)
where:
Base-Base interactions energy: -605.124
where: short stacking energy: -259.406
Base-Backbone interact. energy: 2.845
local terms energy: -279.842337
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -66.965
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -52.360
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -921.695880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.695880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.095880 (E_RNA)
where:
Base-Base interactions energy: -534.691
where: short stacking energy: -210.007
Base-Backbone interact. energy: -2.729
local terms energy: -227.675706
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -64.302
flat angles C4'-P-C4' energy: -66.458
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1431.580123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.580123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.980123 (E_RNA)
where:
Base-Base interactions energy: -860.187
where: short stacking energy: -350.048
Base-Backbone interact. energy: -1.106
local terms energy: -368.687081
where:
bonds (distance) C4'-P energy: -72.738
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -75.074
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: -100.641
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1418.940809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.940809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.340809 (E_RNA)
where:
Base-Base interactions energy: -835.388
where: short stacking energy: -341.722
Base-Backbone interact. energy: -1.020
local terms energy: -371.932410
where:
bonds (distance) C4'-P energy: -71.289
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -84.474
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -92.783
Dist. restrs. and SS energy: -210.600 (S_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: 158
Temperature: 1.000000
Total energy: -1395.283657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.283657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.883657 (E_RNA)
where:
Base-Base interactions energy: -846.653
where: short stacking energy: -345.260
Base-Backbone interact. energy: -1.270
local terms energy: -334.961363
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -69.917
flat angles C4'-P-C4' energy: -75.789
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -86.509
Dist. restrs. and SS energy: -212.400 (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: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1311.562617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.562617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.362617 (E_RNA)
where:
Base-Base interactions energy: -766.431
where: short stacking energy: -318.535
Base-Backbone interact. energy: -1.193
local terms energy: -347.738416
where:
bonds (distance) C4'-P energy: -71.106
bonds (distance) P-C4' energy: -72.352
flat angles C4'-P-C4' energy: -75.665
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -84.826
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1285.833156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.833156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.433156 (E_RNA)
where:
Base-Base interactions energy: -735.242
where: short stacking energy: -285.575
Base-Backbone interact. energy: -1.341
local terms energy: -336.850753
where:
bonds (distance) C4'-P energy: -66.008
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -78.422
flat angles P-C4'-P energy: -46.893
tors. eta vs tors. theta energy: -76.784
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1175.736373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.736373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.136373 (E_RNA)
where:
Base-Base interactions energy: -698.234
where: short stacking energy: -293.756
Base-Backbone interact. energy: 2.124
local terms energy: -296.026262
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -51.307
tors. eta vs tors. theta energy: -73.553
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1182.038601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.038601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.238601 (E_RNA)
where:
Base-Base interactions energy: -675.547
where: short stacking energy: -276.472
Base-Backbone interact. energy: -1.897
local terms energy: -295.794551
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -73.770
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -64.330
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1027.250763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.250763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.450763 (E_RNA)
where:
Base-Base interactions energy: -540.132
where: short stacking energy: -222.681
Base-Backbone interact. energy: 1.056
local terms energy: -306.375626
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -70.018
flat angles C4'-P-C4' energy: -82.815
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -50.276
Dist. restrs. and SS energy: -181.800 (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: 158
Temperature: 1.300000
Total energy: -1105.534439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.534439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.534439 (E_RNA)
where:
Base-Base interactions energy: -640.923
where: short stacking energy: -255.153
Base-Backbone interact. energy: -2.287
local terms energy: -264.324892
where:
bonds (distance) C4'-P energy: -58.791
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -64.440
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -61.273
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -945.975485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.975485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.975485 (E_RNA)
where:
Base-Base interactions energy: -541.128
where: short stacking energy: -222.948
Base-Backbone interact. energy: -2.449
local terms energy: -249.399100
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -59.541
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -32.823
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1422.895183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.895183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.095183 (E_RNA)
where:
Base-Base interactions energy: -826.674
where: short stacking energy: -344.492
Base-Backbone interact. energy: -3.445
local terms energy: -392.975550
where:
bonds (distance) C4'-P energy: -76.399
bonds (distance) P-C4' energy: -78.338
flat angles C4'-P-C4' energy: -88.944
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -97.005
Dist. restrs. and SS energy: -199.800 (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: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1434.985714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.985714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.185714 (E_RNA)
where:
Base-Base interactions energy: -872.971
where: short stacking energy: -329.422
Base-Backbone interact. energy: -1.981
local terms energy: -351.233867
where:
bonds (distance) C4'-P energy: -67.431
bonds (distance) P-C4' energy: -65.018
flat angles C4'-P-C4' energy: -77.973
flat angles P-C4'-P energy: -56.998
tors. eta vs tors. theta energy: -83.814
Dist. restrs. and SS energy: -208.800 (S_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: 159
Temperature: 1.000000
Total energy: -1381.932948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.932948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.732948 (E_RNA)
where:
Base-Base interactions energy: -831.020
where: short stacking energy: -334.530
Base-Backbone interact. energy: -2.417
local terms energy: -334.296507
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -75.447
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -76.096
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1324.160279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.160279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.360279 (E_RNA)
where:
Base-Base interactions energy: -786.567
where: short stacking energy: -330.740
Base-Backbone interact. energy: 1.613
local terms energy: -339.406068
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -76.211
flat angles C4'-P-C4' energy: -73.927
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1265.196854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.196854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.796854 (E_RNA)
where:
Base-Base interactions energy: -743.119
where: short stacking energy: -299.422
Base-Backbone interact. energy: 0.524
local terms energy: -310.202037
where:
bonds (distance) C4'-P energy: -42.856
bonds (distance) P-C4' energy: -73.108
flat angles C4'-P-C4' energy: -73.524
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -74.241
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1244.279554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.279554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.879554 (E_RNA)
where:
Base-Base interactions energy: -684.523
where: short stacking energy: -281.137
Base-Backbone interact. energy: -1.446
local terms energy: -345.910681
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -69.678
flat angles C4'-P-C4' energy: -72.669
flat angles P-C4'-P energy: -47.086
tors. eta vs tors. theta energy: -84.332
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1166.694483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.694483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.494483 (E_RNA)
where:
Base-Base interactions energy: -658.442
where: short stacking energy: -275.536
Base-Backbone interact. energy: -0.372
local terms energy: -320.680350
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -70.177
flat angles C4'-P-C4' energy: -69.603
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -73.929
Dist. restrs. and SS energy: -187.200 (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: 159
Temperature: 1.250000
Total energy: -1120.269319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.269319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.069319 (E_RNA)
where:
Base-Base interactions energy: -640.536
where: short stacking energy: -254.132
Base-Backbone interact. energy: -1.595
local terms energy: -281.938379
where:
bonds (distance) C4'-P energy: -62.108
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -66.306
flat angles P-C4'-P energy: -37.297
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1015.414765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.414765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.414765 (E_RNA)
where:
Base-Base interactions energy: -564.437
where: short stacking energy: -228.578
Base-Backbone interact. energy: -0.825
local terms energy: -270.152057
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -63.995
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -941.280129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.280129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.080129 (E_RNA)
where:
Base-Base interactions energy: -529.645
where: short stacking energy: -198.697
Base-Backbone interact. energy: -1.385
local terms energy: -250.050499
where:
bonds (distance) C4'-P energy: -46.662
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -40.867
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1439.028241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.028241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.628241 (E_RNA)
where:
Base-Base interactions energy: -878.811
where: short stacking energy: -356.786
Base-Backbone interact. energy: -0.693
local terms energy: -356.124650
where:
bonds (distance) C4'-P energy: -65.881
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -100.945
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1428.975176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.975176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.375176 (E_RNA)
where:
Base-Base interactions energy: -839.520
where: short stacking energy: -337.269
Base-Backbone interact. energy: -2.231
local terms energy: -376.624674
where:
bonds (distance) C4'-P energy: -68.313
bonds (distance) P-C4' energy: -78.142
flat angles C4'-P-C4' energy: -81.841
flat angles P-C4'-P energy: -64.699
tors. eta vs tors. theta energy: -83.629
Dist. restrs. and SS energy: -210.600 (S_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: 160
Temperature: 1.000000
Total energy: -1360.984139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.984139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.984139 (E_RNA)
where:
Base-Base interactions energy: -803.262
where: short stacking energy: -306.692
Base-Backbone interact. energy: -2.773
local terms energy: -338.949916
where:
bonds (distance) C4'-P energy: -73.865
bonds (distance) P-C4' energy: -78.879
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -76.267
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1305.643754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.643754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.643754 (E_RNA)
where:
Base-Base interactions energy: -777.283
where: short stacking energy: -309.980
Base-Backbone interact. energy: 0.431
local terms energy: -330.791656
where:
bonds (distance) C4'-P energy: -69.051
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -69.420
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -78.799
Dist. restrs. and SS energy: -198.000 (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: 160
Temperature: 1.100000
Total energy: -1236.258644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.258644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.258644 (E_RNA)
where:
Base-Base interactions energy: -713.769
where: short stacking energy: -268.202
Base-Backbone interact. energy: -3.265
local terms energy: -312.224267
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -68.718
flat angles P-C4'-P energy: -44.981
tors. eta vs tors. theta energy: -62.312
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1188.264838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.264838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.664838 (E_RNA)
where:
Base-Base interactions energy: -669.303
where: short stacking energy: -268.417
Base-Backbone interact. energy: -0.795
local terms energy: -307.566166
where:
bonds (distance) C4'-P energy: -61.772
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -67.759
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -62.955
Dist. restrs. and SS energy: -210.600 (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: 160
Temperature: 1.200000
Total energy: -1146.187950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.187950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.587950 (E_RNA)
where:
Base-Base interactions energy: -659.184
where: short stacking energy: -279.880
Base-Backbone interact. energy: -2.950
local terms energy: -300.454395
where:
bonds (distance) C4'-P energy: -59.746
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -73.747
flat angles P-C4'-P energy: -43.174
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: -183.600 (S_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: 160
Temperature: 1.250000
Total energy: -1085.440799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.440799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.840799 (E_RNA)
where:
Base-Base interactions energy: -616.471
where: short stacking energy: -243.766
Base-Backbone interact. energy: 1.864
local terms energy: -269.233621
where:
bonds (distance) C4'-P energy: -56.115
bonds (distance) P-C4' energy: -63.387
flat angles C4'-P-C4' energy: -69.025
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: -46.293
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1034.217102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.217102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.617102 (E_RNA)
where:
Base-Base interactions energy: -568.161
where: short stacking energy: -233.319
Base-Backbone interact. energy: -1.012
local terms energy: -281.444120
where:
bonds (distance) C4'-P energy: -59.724
bonds (distance) P-C4' energy: -63.692
flat angles C4'-P-C4' energy: -74.769
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -44.251
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -911.299709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.299709 (E_RNA)
where:
Base-Base interactions energy: -522.666
where: short stacking energy: -192.218
Base-Backbone interact. energy: 6.758
local terms energy: -233.391608
where:
bonds (distance) C4'-P energy: -53.154
bonds (distance) P-C4' energy: -58.458
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -38.874
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1444.659001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.659001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.059001 (E_RNA)
where:
Base-Base interactions energy: -849.254
where: short stacking energy: -349.677
Base-Backbone interact. energy: -3.473
local terms energy: -390.331776
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -79.263
flat angles C4'-P-C4' energy: -79.087
flat angles P-C4'-P energy: -59.917
tors. eta vs tors. theta energy: -101.140
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1434.346331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.346331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.346331 (E_RNA)
where:
Base-Base interactions energy: -848.170
where: short stacking energy: -319.468
Base-Backbone interact. energy: -2.608
local terms energy: -376.567964
where:
bonds (distance) C4'-P energy: -72.679
bonds (distance) P-C4' energy: -72.884
flat angles C4'-P-C4' energy: -75.927
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -90.550
Dist. restrs. and SS energy: -207.000 (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: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1380.565194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.565194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.365194 (E_RNA)
where:
Base-Base interactions energy: -821.010
where: short stacking energy: -327.635
Base-Backbone interact. energy: -2.201
local terms energy: -343.154134
where:
bonds (distance) C4'-P energy: -66.369
bonds (distance) P-C4' energy: -64.803
flat angles C4'-P-C4' energy: -77.219
flat angles P-C4'-P energy: -49.680
tors. eta vs tors. theta energy: -85.083
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1341.438190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.438190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.638190 (E_RNA)
where:
Base-Base interactions energy: -785.816
where: short stacking energy: -324.090
Base-Backbone interact. energy: -1.609
local terms energy: -354.212880
where:
bonds (distance) C4'-P energy: -69.169
bonds (distance) P-C4' energy: -74.597
flat angles C4'-P-C4' energy: -77.805
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -90.740
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1290.161190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.161190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.161190 (E_RNA)
where:
Base-Base interactions energy: -737.987
where: short stacking energy: -283.011
Base-Backbone interact. energy: -6.089
local terms energy: -330.085239
where:
bonds (distance) C4'-P energy: -67.448
bonds (distance) P-C4' energy: -67.137
flat angles C4'-P-C4' energy: -77.541
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -77.138
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1222.329841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.329841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.129841 (E_RNA)
where:
Base-Base interactions energy: -702.077
where: short stacking energy: -292.239
Base-Backbone interact. energy: -0.770
local terms energy: -305.282681
where:
bonds (distance) C4'-P energy: -60.579
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -74.706
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -70.779
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1125.384011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.384011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.584011 (E_RNA)
where:
Base-Base interactions energy: -640.930
where: short stacking energy: -269.780
Base-Backbone interact. energy: -1.155
local terms energy: -301.499120
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -61.155
flat angles C4'-P-C4' energy: -76.350
flat angles P-C4'-P energy: -45.817
tors. eta vs tors. theta energy: -70.985
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1060.611958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.611958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.811958 (E_RNA)
where:
Base-Base interactions energy: -601.788
where: short stacking energy: -242.878
Base-Backbone interact. energy: 2.702
local terms energy: -279.726296
where:
bonds (distance) C4'-P energy: -64.528
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -48.614
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: -181.800 (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: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1031.246776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.246776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.246776 (E_RNA)
where:
Base-Base interactions energy: -579.690
where: short stacking energy: -228.774
Base-Backbone interact. energy: -2.949
local terms energy: -268.608053
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -71.646
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -895.764921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.764921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.764921 (E_RNA)
where:
Base-Base interactions energy: -517.046
where: short stacking energy: -205.912
Base-Backbone interact. energy: -0.341
local terms energy: -216.377545
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -39.518
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1446.473784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.473784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.073784 (E_RNA)
where:
Base-Base interactions energy: -871.081
where: short stacking energy: -345.591
Base-Backbone interact. energy: -3.402
local terms energy: -368.590833
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -82.341
flat angles C4'-P-C4' energy: -85.552
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: -92.420
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1421.971832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.971832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.371832 (E_RNA)
where:
Base-Base interactions energy: -837.930
where: short stacking energy: -337.789
Base-Backbone interact. energy: -0.640
local terms energy: -372.801332
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -64.620
flat angles C4'-P-C4' energy: -84.505
flat angles P-C4'-P energy: -56.477
tors. eta vs tors. theta energy: -91.914
Dist. restrs. and SS energy: -210.600 (S_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: 162
Temperature: 1.000000
Total energy: -1374.586175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.586175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.186175 (E_RNA)
where:
Base-Base interactions energy: -805.609
where: short stacking energy: -317.804
Base-Backbone interact. energy: -3.620
local terms energy: -352.957428
where:
bonds (distance) C4'-P energy: -73.837
bonds (distance) P-C4' energy: -74.280
flat angles C4'-P-C4' energy: -78.037
flat angles P-C4'-P energy: -54.710
tors. eta vs tors. theta energy: -72.093
Dist. restrs. and SS energy: -212.400 (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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1297.852823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.852823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.852823 (E_RNA)
where:
Base-Base interactions energy: -774.745
where: short stacking energy: -320.326
Base-Backbone interact. energy: -1.183
local terms energy: -323.924710
where:
bonds (distance) C4'-P energy: -64.174
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -68.645
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -78.098
Dist. restrs. and SS energy: -198.000 (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: 162
Temperature: 1.100000
Total energy: -1284.535643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.535643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.535643 (E_RNA)
where:
Base-Base interactions energy: -756.867
where: short stacking energy: -295.104
Base-Backbone interact. energy: -2.872
local terms energy: -308.796857
where:
bonds (distance) C4'-P energy: -61.621
bonds (distance) P-C4' energy: -59.980
flat angles C4'-P-C4' energy: -73.242
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -72.147
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1230.601994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.601994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.601994 (E_RNA)
where:
Base-Base interactions energy: -689.139
where: short stacking energy: -269.558
Base-Backbone interact. energy: -0.663
local terms energy: -324.799241
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -67.547
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1125.233253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.233253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.633253 (E_RNA)
where:
Base-Base interactions energy: -642.974
where: short stacking energy: -271.765
Base-Backbone interact. energy: -1.182
local terms energy: -297.477896
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -59.731
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -72.428
Dist. restrs. and SS energy: -183.600 (S_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: 162
Temperature: 1.250000
Total energy: -1085.369420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.369420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.169420 (E_RNA)
where:
Base-Base interactions energy: -625.929
where: short stacking energy: -247.758
Base-Backbone interact. energy: 0.153
local terms energy: -272.393325
where:
bonds (distance) C4'-P energy: -69.408
bonds (distance) P-C4' energy: -59.979
flat angles C4'-P-C4' energy: -54.202
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -53.110
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1007.825846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.825846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.625846 (E_RNA)
where:
Base-Base interactions energy: -540.381
where: short stacking energy: -228.715
Base-Backbone interact. energy: -0.693
local terms energy: -288.551900
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -66.537
flat angles C4'-P-C4' energy: -55.924
flat angles P-C4'-P energy: -50.089
tors. eta vs tors. theta energy: -43.668
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -890.275144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.275144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.075144 (E_RNA)
where:
Base-Base interactions energy: -510.618
where: short stacking energy: -204.463
Base-Backbone interact. energy: -3.442
local terms energy: -216.015872
where:
bonds (distance) C4'-P energy: -53.219
bonds (distance) P-C4' energy: -60.430
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -33.567
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1441.521677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.521677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.321677 (E_RNA)
where:
Base-Base interactions energy: -870.184
where: short stacking energy: -345.488
Base-Backbone interact. energy: -1.678
local terms energy: -364.460244
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -75.905
flat angles C4'-P-C4' energy: -77.312
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -99.324
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1420.886712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.886712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.086712 (E_RNA)
where:
Base-Base interactions energy: -848.435
where: short stacking energy: -341.495
Base-Backbone interact. energy: -3.431
local terms energy: -360.220284
where:
bonds (distance) C4'-P energy: -72.572
bonds (distance) P-C4' energy: -72.416
flat angles C4'-P-C4' energy: -75.386
flat angles P-C4'-P energy: -47.052
tors. eta vs tors. theta energy: -92.793
Dist. restrs. and SS energy: -208.800 (S_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: 163
Temperature: 1.000000
Total energy: -1399.821989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.821989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.621989 (E_RNA)
where:
Base-Base interactions energy: -814.721
where: short stacking energy: -333.835
Base-Backbone interact. energy: -5.043
local terms energy: -365.858517
where:
bonds (distance) C4'-P energy: -73.228
bonds (distance) P-C4' energy: -71.279
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -56.482
tors. eta vs tors. theta energy: -87.200
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1346.075258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.075258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.275258 (E_RNA)
where:
Base-Base interactions energy: -807.752
where: short stacking energy: -318.319
Base-Backbone interact. energy: -1.741
local terms energy: -336.782425
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -66.523
flat angles C4'-P-C4' energy: -80.694
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -83.717
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1267.113521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.113521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.913521 (E_RNA)
where:
Base-Base interactions energy: -744.581
where: short stacking energy: -284.547
Base-Backbone interact. energy: -1.931
local terms energy: -306.401815
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -69.648
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -42.292
tors. eta vs tors. theta energy: -71.832
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1229.771415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.771415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.971415 (E_RNA)
where:
Base-Base interactions energy: -702.230
where: short stacking energy: -286.546
Base-Backbone interact. energy: -1.597
local terms energy: -308.143925
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -59.805
flat angles C4'-P-C4' energy: -78.378
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -71.706
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1118.278221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.278221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.078221 (E_RNA)
where:
Base-Base interactions energy: -640.951
where: short stacking energy: -248.525
Base-Backbone interact. energy: 0.088
local terms energy: -290.215007
where:
bonds (distance) C4'-P energy: -58.377
bonds (distance) P-C4' energy: -65.249
flat angles C4'-P-C4' energy: -68.415
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -53.824
Dist. restrs. and SS energy: -187.200 (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: 163
Temperature: 1.250000
Total energy: -1063.016449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.016449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.816449 (E_RNA)
where:
Base-Base interactions energy: -601.566
where: short stacking energy: -237.134
Base-Backbone interact. energy: 1.391
local terms energy: -266.641394
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -61.170
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -49.112
tors. eta vs tors. theta energy: -47.311
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -977.961281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.961281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.561281 (E_RNA)
where:
Base-Base interactions energy: -516.611
where: short stacking energy: -219.877
Base-Backbone interact. energy: 0.413
local terms energy: -294.363443
where:
bonds (distance) C4'-P energy: -62.865
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -61.154
flat angles P-C4'-P energy: -43.177
tors. eta vs tors. theta energy: -50.457
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -902.135074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.135074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.535074 (E_RNA)
where:
Base-Base interactions energy: -514.391
where: short stacking energy: -202.327
Base-Backbone interact. energy: -1.369
local terms energy: -229.775688
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -50.874
flat angles C4'-P-C4' energy: -64.659
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1449.023200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.023200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.223200 (E_RNA)
where:
Base-Base interactions energy: -848.487
where: short stacking energy: -322.842
Base-Backbone interact. energy: -4.745
local terms energy: -386.991730
where:
bonds (distance) C4'-P energy: -72.321
bonds (distance) P-C4' energy: -73.463
flat angles C4'-P-C4' energy: -84.443
flat angles P-C4'-P energy: -52.462
tors. eta vs tors. theta energy: -104.303
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1424.204302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.204302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.404302 (E_RNA)
where:
Base-Base interactions energy: -851.718
where: short stacking energy: -353.891
Base-Backbone interact. energy: -4.921
local terms energy: -367.766019
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -70.436
flat angles C4'-P-C4' energy: -77.027
flat angles P-C4'-P energy: -56.641
tors. eta vs tors. theta energy: -97.358
Dist. restrs. and SS energy: -199.800 (S_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: 164
Temperature: 1.000000
Total energy: -1383.545434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.545434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.545434 (E_RNA)
where:
Base-Base interactions energy: -818.838
where: short stacking energy: -321.798
Base-Backbone interact. energy: -2.897
local terms energy: -345.810530
where:
bonds (distance) C4'-P energy: -61.507
bonds (distance) P-C4' energy: -78.114
flat angles C4'-P-C4' energy: -79.129
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -77.701
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1332.889762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.889762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.089762 (E_RNA)
where:
Base-Base interactions energy: -790.475
where: short stacking energy: -305.083
Base-Backbone interact. energy: -3.565
local terms energy: -339.049182
where:
bonds (distance) C4'-P energy: -71.179
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -78.285
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -77.003
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1234.301244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.301244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.501244 (E_RNA)
where:
Base-Base interactions energy: -705.236
where: short stacking energy: -270.429
Base-Backbone interact. energy: -3.533
local terms energy: -316.731891
where:
bonds (distance) C4'-P energy: -72.090
bonds (distance) P-C4' energy: -77.321
flat angles C4'-P-C4' energy: -71.864
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -56.468
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1231.566511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.566511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.966511 (E_RNA)
where:
Base-Base interactions energy: -686.710
where: short stacking energy: -291.929
Base-Backbone interact. energy: -2.104
local terms energy: -332.152997
where:
bonds (distance) C4'-P energy: -63.996
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -77.525
Dist. restrs. and SS energy: -210.600 (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: 164
Temperature: 1.200000
Total energy: -1142.203966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.203966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.003966 (E_RNA)
where:
Base-Base interactions energy: -647.467
where: short stacking energy: -270.401
Base-Backbone interact. energy: -0.815
local terms energy: -306.722228
where:
bonds (distance) C4'-P energy: -66.378
bonds (distance) P-C4' energy: -78.097
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -58.377
Dist. restrs. and SS energy: -187.200 (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: 164
Temperature: 1.250000
Total energy: -1137.336330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.336330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.736330 (E_RNA)
where:
Base-Base interactions energy: -622.706
where: short stacking energy: -259.395
Base-Backbone interact. energy: -2.132
local terms energy: -310.898152
where:
bonds (distance) C4'-P energy: -64.433
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -67.380
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -68.362
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1001.837211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.837211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.037211 (E_RNA)
where:
Base-Base interactions energy: -551.282
where: short stacking energy: -225.728
Base-Backbone interact. energy: -1.664
local terms energy: -276.091759
where:
bonds (distance) C4'-P energy: -60.616
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -55.585
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -53.107
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -914.240268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.240268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.040268 (E_RNA)
where:
Base-Base interactions energy: -518.736
where: short stacking energy: -206.459
Base-Backbone interact. energy: -1.859
local terms energy: -233.445622
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -58.035
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -44.331
Dist. restrs. and SS energy: -160.200 (S_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: 165
Temperature: 0.900000
Total energy: -1437.124592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.124592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.324592 (E_RNA)
where:
Base-Base interactions energy: -870.519
where: short stacking energy: -339.980
Base-Backbone interact. energy: -1.428
local terms energy: -356.377182
where:
bonds (distance) C4'-P energy: -69.700
bonds (distance) P-C4' energy: -70.688
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -90.052
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1391.934903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.934903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.534903 (E_RNA)
where:
Base-Base interactions energy: -827.658
where: short stacking energy: -329.538
Base-Backbone interact. energy: -3.859
local terms energy: -357.018268
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -70.625
flat angles C4'-P-C4' energy: -76.347
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: -89.584
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1363.390103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.390103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.190103 (E_RNA)
where:
Base-Base interactions energy: -812.846
where: short stacking energy: -316.982
Base-Backbone interact. energy: -3.091
local terms energy: -333.253304
where:
bonds (distance) C4'-P energy: -66.927
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -77.304
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -80.049
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1309.225302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.225302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.225302 (E_RNA)
where:
Base-Base interactions energy: -787.427
where: short stacking energy: -294.269
Base-Backbone interact. energy: -0.085
local terms energy: -323.713403
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -69.409
flat angles C4'-P-C4' energy: -70.682
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -81.714
Dist. restrs. and SS energy: -198.000 (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: 165
Temperature: 1.100000
Total energy: -1232.199739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.199739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.799739 (E_RNA)
where:
Base-Base interactions energy: -722.115
where: short stacking energy: -283.945
Base-Backbone interact. energy: -0.352
local terms energy: -306.333448
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -66.730
flat angles C4'-P-C4' energy: -73.692
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -69.853
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1260.398906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.398906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.398906 (E_RNA)
where:
Base-Base interactions energy: -708.333
where: short stacking energy: -296.821
Base-Backbone interact. energy: 0.223
local terms energy: -336.289309
where:
bonds (distance) C4'-P energy: -75.014
bonds (distance) P-C4' energy: -64.548
flat angles C4'-P-C4' energy: -78.415
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -78.332
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1128.480764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.480764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.080764 (E_RNA)
where:
Base-Base interactions energy: -624.177
where: short stacking energy: -245.048
Base-Backbone interact. energy: -1.736
local terms energy: -317.167000
where:
bonds (distance) C4'-P energy: -77.939
bonds (distance) P-C4' energy: -60.777
flat angles C4'-P-C4' energy: -68.467
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -66.012
Dist. restrs. and SS energy: -185.400 (S_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: 165
Temperature: 1.250000
Total energy: -1149.053811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.053811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.653811 (E_RNA)
where:
Base-Base interactions energy: -644.589
where: short stacking energy: -267.593
Base-Backbone interact. energy: 3.540
local terms energy: -304.605062
where:
bonds (distance) C4'-P energy: -63.364
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -55.595
tors. eta vs tors. theta energy: -65.108
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -987.565521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.565521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.365521 (E_RNA)
where:
Base-Base interactions energy: -551.345
where: short stacking energy: -212.140
Base-Backbone interact. energy: -0.900
local terms energy: -266.120353
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -918.437377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.437377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.237377 (E_RNA)
where:
Base-Base interactions energy: -528.866
where: short stacking energy: -206.885
Base-Backbone interact. energy: 1.812
local terms energy: -240.182888
where:
bonds (distance) C4'-P energy: -50.177
bonds (distance) P-C4' energy: -69.283
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -34.746
Dist. restrs. and SS energy: -151.200 (S_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: 166
Temperature: 0.900000
Total energy: -1446.053212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.053212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.453212 (E_RNA)
where:
Base-Base interactions energy: -867.020
where: short stacking energy: -329.845
Base-Backbone interact. energy: -3.582
local terms energy: -364.851302
where:
bonds (distance) C4'-P energy: -75.524
bonds (distance) P-C4' energy: -74.005
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -88.153
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1411.524699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.524699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.124699 (E_RNA)
where:
Base-Base interactions energy: -836.262
where: short stacking energy: -337.598
Base-Backbone interact. energy: -0.809
local terms energy: -371.053717
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -68.701
flat angles C4'-P-C4' energy: -71.906
flat angles P-C4'-P energy: -52.017
tors. eta vs tors. theta energy: -94.235
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1384.262599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.262599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.262599 (E_RNA)
where:
Base-Base interactions energy: -806.886
where: short stacking energy: -332.343
Base-Backbone interact. energy: -0.023
local terms energy: -361.354099
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -77.128
flat angles C4'-P-C4' energy: -75.011
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -85.318
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1320.856375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.256375 (E_RNA)
where:
Base-Base interactions energy: -780.875
where: short stacking energy: -320.561
Base-Backbone interact. energy: -1.489
local terms energy: -336.893146
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -73.039
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -47.738
tors. eta vs tors. theta energy: -91.292
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1296.237145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.237145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.437145 (E_RNA)
where:
Base-Base interactions energy: -755.663
where: short stacking energy: -315.252
Base-Backbone interact. energy: -0.077
local terms energy: -322.696886
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -79.382
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -91.709
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1212.537978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.537978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.537978 (E_RNA)
where:
Base-Base interactions energy: -705.629
where: short stacking energy: -279.904
Base-Backbone interact. energy: -0.990
local terms energy: -298.918971
where:
bonds (distance) C4'-P energy: -68.629
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -69.781
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1188.369250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.369250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.969250 (E_RNA)
where:
Base-Base interactions energy: -683.126
where: short stacking energy: -276.648
Base-Backbone interact. energy: -0.521
local terms energy: -301.322981
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -62.773
flat angles C4'-P-C4' energy: -73.175
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -64.753
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1056.859941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.859941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.859941 (E_RNA)
where:
Base-Base interactions energy: -622.971
where: short stacking energy: -257.245
Base-Backbone interact. energy: -0.993
local terms energy: -252.895885
where:
bonds (distance) C4'-P energy: -59.134
bonds (distance) P-C4' energy: -59.117
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -51.885
Dist. restrs. and SS energy: -180.000 (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: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -950.687042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.687042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.887042 (E_RNA)
where:
Base-Base interactions energy: -510.202
where: short stacking energy: -208.241
Base-Backbone interact. energy: -1.345
local terms energy: -275.339467
where:
bonds (distance) C4'-P energy: -61.076
bonds (distance) P-C4' energy: -64.540
flat angles C4'-P-C4' energy: -62.709
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -972.822855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.822855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.822855 (E_RNA)
where:
Base-Base interactions energy: -541.080
where: short stacking energy: -222.490
Base-Backbone interact. energy: -1.289
local terms energy: -259.453562
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1476.383033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.383033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.783033 (E_RNA)
where:
Base-Base interactions energy: -890.283
where: short stacking energy: -339.194
Base-Backbone interact. energy: -3.408
local terms energy: -372.091663
where:
bonds (distance) C4'-P energy: -75.155
bonds (distance) P-C4' energy: -76.895
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -37.112
tors. eta vs tors. theta energy: -101.275
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1422.181619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.181619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.981619 (E_RNA)
where:
Base-Base interactions energy: -853.031
where: short stacking energy: -357.656
Base-Backbone interact. energy: -3.025
local terms energy: -351.925851
where:
bonds (distance) C4'-P energy: -65.487
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -79.436
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -89.933
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1374.412496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.412496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.012496 (E_RNA)
where:
Base-Base interactions energy: -816.595
where: short stacking energy: -332.697
Base-Backbone interact. energy: -1.112
local terms energy: -353.305127
where:
bonds (distance) C4'-P energy: -64.382
bonds (distance) P-C4' energy: -74.651
flat angles C4'-P-C4' energy: -73.609
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -96.683
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1285.427783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.427783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.427783 (E_RNA)
where:
Base-Base interactions energy: -724.185
where: short stacking energy: -299.294
Base-Backbone interact. energy: -4.118
local terms energy: -341.124940
where:
bonds (distance) C4'-P energy: -70.551
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -55.763
tors. eta vs tors. theta energy: -86.657
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1294.867652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.867652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.067652 (E_RNA)
where:
Base-Base interactions energy: -774.213
where: short stacking energy: -295.265
Base-Backbone interact. energy: -1.218
local terms energy: -319.637127
where:
bonds (distance) C4'-P energy: -62.164
bonds (distance) P-C4' energy: -47.743
flat angles C4'-P-C4' energy: -80.690
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -78.274
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1197.610582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.610582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.210582 (E_RNA)
where:
Base-Base interactions energy: -695.551
where: short stacking energy: -281.315
Base-Backbone interact. energy: -3.572
local terms energy: -295.087685
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -58.904
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1190.978079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.978079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.978079 (E_RNA)
where:
Base-Base interactions energy: -680.366
where: short stacking energy: -277.215
Base-Backbone interact. energy: -2.679
local terms energy: -300.933065
where:
bonds (distance) C4'-P energy: -62.586
bonds (distance) P-C4' energy: -65.832
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -66.884
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1061.435147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.435147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.635147 (E_RNA)
where:
Base-Base interactions energy: -587.737
where: short stacking energy: -237.776
Base-Backbone interact. energy: -2.075
local terms energy: -289.823407
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -62.269
flat angles C4'-P-C4' energy: -58.510
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: -48.732
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -917.472105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.472105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.272105 (E_RNA)
where:
Base-Base interactions energy: -497.794
where: short stacking energy: -209.306
Base-Backbone interact. energy: 1.634
local terms energy: -261.111605
where:
bonds (distance) C4'-P energy: -70.080
bonds (distance) P-C4' energy: -61.765
flat angles C4'-P-C4' energy: -62.272
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -37.737
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -974.872721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.872721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.672721 (E_RNA)
where:
Base-Base interactions energy: -547.132
where: short stacking energy: -231.201
Base-Backbone interact. energy: 1.133
local terms energy: -250.673690
where:
bonds (distance) C4'-P energy: -50.193
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -37.545
tors. eta vs tors. theta energy: -58.328
Dist. restrs. and SS energy: -178.200 (S_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: 168
Temperature: 0.900000
Total energy: -1455.830857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.830857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.030857 (E_RNA)
where:
Base-Base interactions energy: -872.837
where: short stacking energy: -339.662
Base-Backbone interact. energy: 0.648
local terms energy: -374.841776
where:
bonds (distance) C4'-P energy: -75.584
bonds (distance) P-C4' energy: -69.762
flat angles C4'-P-C4' energy: -80.517
flat angles P-C4'-P energy: -50.312
tors. eta vs tors. theta energy: -98.667
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1395.403235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.403235 (E_RNA)
where:
Base-Base interactions energy: -828.229
where: short stacking energy: -338.074
Base-Backbone interact. energy: -3.981
local terms energy: -347.194180
where:
bonds (distance) C4'-P energy: -73.064
bonds (distance) P-C4' energy: -74.662
flat angles C4'-P-C4' energy: -67.721
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -86.907
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1383.907470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.907470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.307470 (E_RNA)
where:
Base-Base interactions energy: -815.591
where: short stacking energy: -343.814
Base-Backbone interact. energy: -2.175
local terms energy: -364.541686
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -78.474
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -95.005
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1300.612267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.612267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.412267 (E_RNA)
where:
Base-Base interactions energy: -742.434
where: short stacking energy: -311.433
Base-Backbone interact. energy: -3.136
local terms energy: -340.842312
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -78.967
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -79.421
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1317.132197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.132197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.932197 (E_RNA)
where:
Base-Base interactions energy: -767.532
where: short stacking energy: -311.912
Base-Backbone interact. energy: -2.151
local terms energy: -351.249353
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -78.096
flat angles C4'-P-C4' energy: -76.799
flat angles P-C4'-P energy: -49.271
tors. eta vs tors. theta energy: -86.097
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1211.855866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.855866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.455866 (E_RNA)
where:
Base-Base interactions energy: -700.182
where: short stacking energy: -287.013
Base-Backbone interact. energy: -2.716
local terms energy: -305.557091
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -45.922
tors. eta vs tors. theta energy: -66.994
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1169.562469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.562469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.362469 (E_RNA)
where:
Base-Base interactions energy: -654.533
where: short stacking energy: -271.096
Base-Backbone interact. energy: -0.925
local terms energy: -308.904363
where:
bonds (distance) C4'-P energy: -72.402
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -64.455
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: -73.636
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1034.196151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.196151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.796151 (E_RNA)
where:
Base-Base interactions energy: -570.621
where: short stacking energy: -246.690
Base-Backbone interact. energy: 1.220
local terms energy: -288.394594
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -64.768
flat angles C4'-P-C4' energy: -75.639
flat angles P-C4'-P energy: -50.536
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: -176.400 (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: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -996.894221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.894221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.294221 (E_RNA)
where:
Base-Base interactions energy: -560.039
where: short stacking energy: -237.066
Base-Backbone interact. energy: -0.813
local terms energy: -270.442698
where:
bonds (distance) C4'-P energy: -56.126
bonds (distance) P-C4' energy: -61.393
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -63.204
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -898.191803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.191803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.391803 (E_RNA)
where:
Base-Base interactions energy: -499.511
where: short stacking energy: -208.332
Base-Backbone interact. energy: -0.576
local terms energy: -252.305399
where:
bonds (distance) C4'-P energy: -58.959
bonds (distance) P-C4' energy: -63.425
flat angles C4'-P-C4' energy: -59.686
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1457.453756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.453756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.453756 (E_RNA)
where:
Base-Base interactions energy: -888.503
where: short stacking energy: -346.110
Base-Backbone interact. energy: -5.457
local terms energy: -356.493642
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -51.242
tors. eta vs tors. theta energy: -100.106
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1393.824992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.824992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.824992 (E_RNA)
where:
Base-Base interactions energy: -830.713
where: short stacking energy: -322.507
Base-Backbone interact. energy: -1.406
local terms energy: -345.706483
where:
bonds (distance) C4'-P energy: -66.419
bonds (distance) P-C4' energy: -67.973
flat angles C4'-P-C4' energy: -78.092
flat angles P-C4'-P energy: -50.569
tors. eta vs tors. theta energy: -82.654
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1385.225925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.225925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.625925 (E_RNA)
where:
Base-Base interactions energy: -809.222
where: short stacking energy: -330.879
Base-Backbone interact. energy: -0.323
local terms energy: -374.081020
where:
bonds (distance) C4'-P energy: -73.446
bonds (distance) P-C4' energy: -75.153
flat angles C4'-P-C4' energy: -79.360
flat angles P-C4'-P energy: -49.970
tors. eta vs tors. theta energy: -96.152
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1325.258840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.258840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.058840 (E_RNA)
where:
Base-Base interactions energy: -790.478
where: short stacking energy: -340.752
Base-Backbone interact. energy: -1.080
local terms energy: -337.501006
where:
bonds (distance) C4'-P energy: -64.890
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -77.446
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -86.992
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1271.104272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.104272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.304272 (E_RNA)
where:
Base-Base interactions energy: -711.938
where: short stacking energy: -290.255
Base-Backbone interact. energy: -0.577
local terms energy: -340.789195
where:
bonds (distance) C4'-P energy: -67.992
bonds (distance) P-C4' energy: -64.058
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -76.641
Dist. restrs. and SS energy: -217.800 (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: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1208.242880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.242880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.642880 (E_RNA)
where:
Base-Base interactions energy: -696.396
where: short stacking energy: -280.192
Base-Backbone interact. energy: -0.755
local terms energy: -309.491953
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -64.360
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -50.261
tors. eta vs tors. theta energy: -69.639
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1196.557839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.557839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.757839 (E_RNA)
where:
Base-Base interactions energy: -704.091
where: short stacking energy: -263.057
Base-Backbone interact. energy: -0.569
local terms energy: -292.097757
where:
bonds (distance) C4'-P energy: -58.733
bonds (distance) P-C4' energy: -68.705
flat angles C4'-P-C4' energy: -70.249
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1028.994802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.994802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.994802 (E_RNA)
where:
Base-Base interactions energy: -570.983
where: short stacking energy: -229.368
Base-Backbone interact. energy: 1.154
local terms energy: -279.165239
where:
bonds (distance) C4'-P energy: -68.440
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -67.989
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -44.084
Dist. restrs. and SS energy: -180.000 (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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1032.090239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.090239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.690239 (E_RNA)
where:
Base-Base interactions energy: -568.603
where: short stacking energy: -239.738
Base-Backbone interact. energy: -1.697
local terms energy: -294.389893
where:
bonds (distance) C4'-P energy: -74.370
bonds (distance) P-C4' energy: -64.411
flat angles C4'-P-C4' energy: -68.524
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -48.676
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -879.869600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.869600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.069600 (E_RNA)
where:
Base-Base interactions energy: -469.930
where: short stacking energy: -190.769
Base-Backbone interact. energy: -1.635
local terms energy: -262.504510
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -63.314
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -33.341
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1436.127135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.127135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.727135 (E_RNA)
where:
Base-Base interactions energy: -866.696
where: short stacking energy: -360.730
Base-Backbone interact. energy: -4.048
local terms energy: -352.983586
where:
bonds (distance) C4'-P energy: -62.947
bonds (distance) P-C4' energy: -76.911
flat angles C4'-P-C4' energy: -76.398
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -92.814
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1424.325276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.325276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.925276 (E_RNA)
where:
Base-Base interactions energy: -852.659
where: short stacking energy: -337.788
Base-Backbone interact. energy: -2.139
local terms energy: -366.127003
where:
bonds (distance) C4'-P energy: -74.299
bonds (distance) P-C4' energy: -75.089
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -47.839
tors. eta vs tors. theta energy: -89.372
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1348.420714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.420714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.620714 (E_RNA)
where:
Base-Base interactions energy: -815.592
where: short stacking energy: -318.602
Base-Backbone interact. energy: -3.385
local terms energy: -329.643896
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -75.959
flat angles P-C4'-P energy: -44.408
tors. eta vs tors. theta energy: -81.881
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1348.777677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.777677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.577677 (E_RNA)
where:
Base-Base interactions energy: -815.559
where: short stacking energy: -334.438
Base-Backbone interact. energy: -1.333
local terms energy: -326.685531
where:
bonds (distance) C4'-P energy: -49.559
bonds (distance) P-C4' energy: -60.683
flat angles C4'-P-C4' energy: -75.376
flat angles P-C4'-P energy: -46.974
tors. eta vs tors. theta energy: -94.093
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1276.572941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.572941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.772941 (E_RNA)
where:
Base-Base interactions energy: -721.456
where: short stacking energy: -294.532
Base-Backbone interact. energy: -3.776
local terms energy: -333.540640
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -73.922
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -77.021
Dist. restrs. and SS energy: -217.800 (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: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1193.402120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.402120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.202120 (E_RNA)
where:
Base-Base interactions energy: -674.023
where: short stacking energy: -274.154
Base-Backbone interact. energy: -1.168
local terms energy: -313.011324
where:
bonds (distance) C4'-P energy: -61.358
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -67.239
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -63.592
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1216.993815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.993815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.793815 (E_RNA)
where:
Base-Base interactions energy: -692.906
where: short stacking energy: -275.803
Base-Backbone interact. energy: 0.236
local terms energy: -310.123527
where:
bonds (distance) C4'-P energy: -63.578
bonds (distance) P-C4' energy: -62.083
flat angles C4'-P-C4' energy: -73.562
flat angles P-C4'-P energy: -45.036
tors. eta vs tors. theta energy: -65.864
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1046.429817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.429817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.029817 (E_RNA)
where:
Base-Base interactions energy: -588.088
where: short stacking energy: -259.044
Base-Backbone interact. energy: 4.402
local terms energy: -286.344177
where:
bonds (distance) C4'-P energy: -58.647
bonds (distance) P-C4' energy: -63.153
flat angles C4'-P-C4' energy: -60.297
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -60.808
Dist. restrs. and SS energy: -176.400 (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: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1014.823928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.823928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.823928 (E_RNA)
where:
Base-Base interactions energy: -551.966
where: short stacking energy: -231.225
Base-Backbone interact. energy: -0.835
local terms energy: -291.022746
where:
bonds (distance) C4'-P energy: -69.162
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -63.374
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -55.057
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -881.407797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.407797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.607797 (E_RNA)
where:
Base-Base interactions energy: -458.885
where: short stacking energy: -182.818
Base-Backbone interact. energy: -0.443
local terms energy: -276.280234
where:
bonds (distance) C4'-P energy: -64.480
bonds (distance) P-C4' energy: -67.436
flat angles C4'-P-C4' energy: -60.602
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -43.613
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1445.787280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.787280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.387280 (E_RNA)
where:
Base-Base interactions energy: -850.598
where: short stacking energy: -333.153
Base-Backbone interact. energy: -1.925
local terms energy: -380.864632
where:
bonds (distance) C4'-P energy: -71.737
bonds (distance) P-C4' energy: -80.988
flat angles C4'-P-C4' energy: -80.109
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -87.750
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1413.469912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.469912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.869912 (E_RNA)
where:
Base-Base interactions energy: -815.952
where: short stacking energy: -333.178
Base-Backbone interact. energy: -2.549
local terms energy: -384.368256
where:
bonds (distance) C4'-P energy: -73.932
bonds (distance) P-C4' energy: -75.737
flat angles C4'-P-C4' energy: -85.073
flat angles P-C4'-P energy: -50.597
tors. eta vs tors. theta energy: -99.028
Dist. restrs. and SS energy: -210.600 (S_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: -1375.894503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.894503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.494503 (E_RNA)
where:
Base-Base interactions energy: -824.037
where: short stacking energy: -333.086
Base-Backbone interact. energy: -1.258
local terms energy: -356.200052
where:
bonds (distance) C4'-P energy: -75.982
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -67.850
flat angles P-C4'-P energy: -55.480
tors. eta vs tors. theta energy: -93.932
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1352.959988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.959988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.559988 (E_RNA)
where:
Base-Base interactions energy: -798.022
where: short stacking energy: -325.334
Base-Backbone interact. energy: -1.898
local terms energy: -349.640009
where:
bonds (distance) C4'-P energy: -58.010
bonds (distance) P-C4' energy: -69.594
flat angles C4'-P-C4' energy: -80.853
flat angles P-C4'-P energy: -50.386
tors. eta vs tors. theta energy: -90.796
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1265.401675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.401675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.001675 (E_RNA)
where:
Base-Base interactions energy: -732.431
where: short stacking energy: -295.446
Base-Backbone interact. energy: -4.205
local terms energy: -316.365345
where:
bonds (distance) C4'-P energy: -68.336
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -71.898
flat angles P-C4'-P energy: -45.667
tors. eta vs tors. theta energy: -71.732
Dist. restrs. and SS energy: -212.400 (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: 171
Temperature: 1.150000
Total energy: -1242.244025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.244025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.844025 (E_RNA)
where:
Base-Base interactions energy: -718.625
where: short stacking energy: -277.674
Base-Backbone interact. energy: -2.149
local terms energy: -309.069517
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -66.701
flat angles C4'-P-C4' energy: -63.289
flat angles P-C4'-P energy: -50.857
tors. eta vs tors. theta energy: -67.352
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1201.032993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.032993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.632993 (E_RNA)
where:
Base-Base interactions energy: -686.224
where: short stacking energy: -271.690
Base-Backbone interact. energy: -1.485
local terms energy: -309.924807
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -59.731
flat angles C4'-P-C4' energy: -64.643
flat angles P-C4'-P energy: -50.583
tors. eta vs tors. theta energy: -66.556
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1077.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.440158 (E_RNA)
where:
Base-Base interactions energy: -601.424
where: short stacking energy: -239.768
Base-Backbone interact. energy: 3.284
local terms energy: -288.300659
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -72.727
flat angles C4'-P-C4' energy: -60.228
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -59.495
Dist. restrs. and SS energy: -190.800 (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: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1063.230005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.230005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.230005 (E_RNA)
where:
Base-Base interactions energy: -602.536
where: short stacking energy: -246.997
Base-Backbone interact. energy: 2.072
local terms energy: -291.765852
where:
bonds (distance) C4'-P energy: -59.221
bonds (distance) P-C4' energy: -60.772
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -53.072
tors. eta vs tors. theta energy: -65.417
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -864.996437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.996437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.396437 (E_RNA)
where:
Base-Base interactions energy: -483.648
where: short stacking energy: -202.018
Base-Backbone interact. energy: 0.591
local terms energy: -234.339852
where:
bonds (distance) C4'-P energy: -61.943
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -59.487
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -31.090
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1453.049246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.049246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.849246 (E_RNA)
where:
Base-Base interactions energy: -857.013
where: short stacking energy: -355.348
Base-Backbone interact. energy: 0.860
local terms energy: -382.696845
where:
bonds (distance) C4'-P energy: -66.456
bonds (distance) P-C4' energy: -83.146
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -59.684
tors. eta vs tors. theta energy: -96.016
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1402.257420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.257420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.457420 (E_RNA)
where:
Base-Base interactions energy: -840.592
where: short stacking energy: -332.512
Base-Backbone interact. energy: -3.200
local terms energy: -349.665113
where:
bonds (distance) C4'-P energy: -64.835
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -76.532
flat angles P-C4'-P energy: -53.224
tors. eta vs tors. theta energy: -87.369
Dist. restrs. and SS energy: -208.800 (S_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: -1343.718696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.718696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.118696 (E_RNA)
where:
Base-Base interactions energy: -793.721
where: short stacking energy: -307.581
Base-Backbone interact. energy: -1.758
local terms energy: -346.639994
where:
bonds (distance) C4'-P energy: -65.654
bonds (distance) P-C4' energy: -73.118
flat angles C4'-P-C4' energy: -72.635
flat angles P-C4'-P energy: -57.258
tors. eta vs tors. theta energy: -77.975
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1354.820763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.820763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.220763 (E_RNA)
where:
Base-Base interactions energy: -783.845
where: short stacking energy: -318.718
Base-Backbone interact. energy: -2.123
local terms energy: -367.252332
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -81.191
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -94.250
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1253.688559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.688559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.888559 (E_RNA)
where:
Base-Base interactions energy: -704.827
where: short stacking energy: -281.781
Base-Backbone interact. energy: -4.346
local terms energy: -326.714986
where:
bonds (distance) C4'-P energy: -61.944
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -80.717
flat angles P-C4'-P energy: -50.960
tors. eta vs tors. theta energy: -75.066
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1249.080424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.080424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.480424 (E_RNA)
where:
Base-Base interactions energy: -736.318
where: short stacking energy: -303.520
Base-Backbone interact. energy: -2.495
local terms energy: -299.666898
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -55.643
flat angles C4'-P-C4' energy: -71.422
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -64.974
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1202.631103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.631103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.631103 (E_RNA)
where:
Base-Base interactions energy: -708.700
where: short stacking energy: -278.769
Base-Backbone interact. energy: 3.038
local terms energy: -298.969032
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -62.751
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -43.156
tors. eta vs tors. theta energy: -73.251
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1114.211830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.211830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.411830 (E_RNA)
where:
Base-Base interactions energy: -640.822
where: short stacking energy: -259.894
Base-Backbone interact. energy: 0.021
local terms energy: -273.610366
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -48.666
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -37.368
tors. eta vs tors. theta energy: -52.327
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1044.952902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.952902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.352902 (E_RNA)
where:
Base-Base interactions energy: -579.636
where: short stacking energy: -232.143
Base-Backbone interact. energy: -0.378
local terms energy: -299.339375
where:
bonds (distance) C4'-P energy: -66.541
bonds (distance) P-C4' energy: -64.843
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -63.521
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -870.717096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.717096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.517096 (E_RNA)
where:
Base-Base interactions energy: -484.827
where: short stacking energy: -207.931
Base-Backbone interact. energy: -0.277
local terms energy: -243.412516
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -62.159
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -36.765
tors. eta vs tors. theta energy: -38.810
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1442.901428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.901428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.501428 (E_RNA)
where:
Base-Base interactions energy: -846.326
where: short stacking energy: -346.149
Base-Backbone interact. energy: -4.474
local terms energy: -379.701357
where:
bonds (distance) C4'-P energy: -74.021
bonds (distance) P-C4' energy: -73.113
flat angles C4'-P-C4' energy: -79.069
flat angles P-C4'-P energy: -64.495
tors. eta vs tors. theta energy: -89.003
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1391.504322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.504322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.704322 (E_RNA)
where:
Base-Base interactions energy: -822.026
where: short stacking energy: -309.217
Base-Backbone interact. energy: 0.263
local terms energy: -360.941067
where:
bonds (distance) C4'-P energy: -73.437
bonds (distance) P-C4' energy: -70.726
flat angles C4'-P-C4' energy: -76.172
flat angles P-C4'-P energy: -53.833
tors. eta vs tors. theta energy: -86.773
Dist. restrs. and SS energy: -208.800 (S_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: -1367.491465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.491465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.691465 (E_RNA)
where:
Base-Base interactions energy: -831.713
where: short stacking energy: -317.051
Base-Backbone interact. energy: -6.602
local terms energy: -329.377275
where:
bonds (distance) C4'-P energy: -58.508
bonds (distance) P-C4' energy: -68.841
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -82.346
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1359.714288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.714288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.714288 (E_RNA)
where:
Base-Base interactions energy: -820.356
where: short stacking energy: -329.928
Base-Backbone interact. energy: -0.267
local terms energy: -341.091627
where:
bonds (distance) C4'-P energy: -75.159
bonds (distance) P-C4' energy: -62.450
flat angles C4'-P-C4' energy: -72.140
flat angles P-C4'-P energy: -40.643
tors. eta vs tors. theta energy: -90.700
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1256.047750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.047750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.447750 (E_RNA)
where:
Base-Base interactions energy: -731.232
where: short stacking energy: -279.424
Base-Backbone interact. energy: -0.183
local terms energy: -314.033401
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -64.885
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -64.379
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1215.345437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.345437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.545437 (E_RNA)
where:
Base-Base interactions energy: -703.499
where: short stacking energy: -282.712
Base-Backbone interact. energy: 2.024
local terms energy: -305.070886
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -71.671
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -67.581
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1219.345491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.345491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.945491 (E_RNA)
where:
Base-Base interactions energy: -711.389
where: short stacking energy: -279.324
Base-Backbone interact. energy: -0.567
local terms energy: -312.989799
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -61.618
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -78.383
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1095.734214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.734214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.734214 (E_RNA)
where:
Base-Base interactions energy: -603.485
where: short stacking energy: -246.271
Base-Backbone interact. energy: -3.350
local terms energy: -290.899066
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -66.339
flat angles C4'-P-C4' energy: -69.906
flat angles P-C4'-P energy: -44.412
tors. eta vs tors. theta energy: -57.817
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1012.759162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.759162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.759162 (E_RNA)
where:
Base-Base interactions energy: -554.467
where: short stacking energy: -237.907
Base-Backbone interact. energy: -1.599
local terms energy: -285.693269
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -74.101
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -42.596
tors. eta vs tors. theta energy: -59.581
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -849.443660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.443660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.443660 (E_RNA)
where:
Base-Base interactions energy: -471.385
where: short stacking energy: -193.022
Base-Backbone interact. energy: -2.817
local terms energy: -231.240917
where:
bonds (distance) C4'-P energy: -50.616
bonds (distance) P-C4' energy: -69.580
flat angles C4'-P-C4' energy: -63.634
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1423.547594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.547594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.747594 (E_RNA)
where:
Base-Base interactions energy: -826.683
where: short stacking energy: -348.915
Base-Backbone interact. energy: -2.532
local terms energy: -385.531770
where:
bonds (distance) C4'-P energy: -79.093
bonds (distance) P-C4' energy: -75.358
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -53.277
tors. eta vs tors. theta energy: -93.315
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1416.967175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.967175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.767175 (E_RNA)
where:
Base-Base interactions energy: -827.600
where: short stacking energy: -339.380
Base-Backbone interact. energy: -1.260
local terms energy: -373.907695
where:
bonds (distance) C4'-P energy: -80.207
bonds (distance) P-C4' energy: -78.160
flat angles C4'-P-C4' energy: -79.465
flat angles P-C4'-P energy: -46.792
tors. eta vs tors. theta energy: -89.283
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1367.755103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.755103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.155103 (E_RNA)
where:
Base-Base interactions energy: -809.380
where: short stacking energy: -310.946
Base-Backbone interact. energy: -0.028
local terms energy: -356.746558
where:
bonds (distance) C4'-P energy: -71.588
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -87.160
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -81.543
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1354.249520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.249520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.449520 (E_RNA)
where:
Base-Base interactions energy: -806.703
where: short stacking energy: -349.697
Base-Backbone interact. energy: 0.767
local terms energy: -348.513663
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -76.005
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -47.238
tors. eta vs tors. theta energy: -93.736
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1248.921922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.921922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.721922 (E_RNA)
where:
Base-Base interactions energy: -716.415
where: short stacking energy: -287.416
Base-Backbone interact. energy: -2.317
local terms energy: -315.989102
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -69.669
flat angles C4'-P-C4' energy: -71.366
flat angles P-C4'-P energy: -48.248
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1232.551366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.551366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.751366 (E_RNA)
where:
Base-Base interactions energy: -722.294
where: short stacking energy: -301.263
Base-Backbone interact. energy: -2.356
local terms energy: -290.100895
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -70.315
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1193.381669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.381669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.581669 (E_RNA)
where:
Base-Base interactions energy: -691.946
where: short stacking energy: -263.584
Base-Backbone interact. energy: -1.799
local terms energy: -299.836971
where:
bonds (distance) C4'-P energy: -57.432
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -66.636
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -71.605
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1063.040099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.040099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.640099 (E_RNA)
where:
Base-Base interactions energy: -611.518
where: short stacking energy: -223.079
Base-Backbone interact. energy: 0.781
local terms energy: -257.903629
where:
bonds (distance) C4'-P energy: -64.265
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -56.333
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: -45.951
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -997.584797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.584797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.784797 (E_RNA)
where:
Base-Base interactions energy: -540.340
where: short stacking energy: -214.016
Base-Backbone interact. energy: -0.835
local terms energy: -292.609745
where:
bonds (distance) C4'-P energy: -63.556
bonds (distance) P-C4' energy: -62.092
flat angles C4'-P-C4' energy: -70.097
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -51.870
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -870.416222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.416222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.416222 (E_RNA)
where:
Base-Base interactions energy: -471.303
where: short stacking energy: -190.979
Base-Backbone interact. energy: -3.036
local terms energy: -252.077122
where:
bonds (distance) C4'-P energy: -65.593
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1448.438904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.438904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.038904 (E_RNA)
where:
Base-Base interactions energy: -865.769
where: short stacking energy: -350.147
Base-Backbone interact. energy: -3.330
local terms energy: -375.939950
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -72.344
flat angles C4'-P-C4' energy: -85.253
flat angles P-C4'-P energy: -53.189
tors. eta vs tors. theta energy: -90.516
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1370.236562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.236562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.636562 (E_RNA)
where:
Base-Base interactions energy: -827.550
where: short stacking energy: -340.887
Base-Backbone interact. energy: -2.114
local terms energy: -338.972156
where:
bonds (distance) C4'-P energy: -61.907
bonds (distance) P-C4' energy: -67.533
flat angles C4'-P-C4' energy: -78.094
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -84.338
Dist. restrs. and SS energy: -201.600 (S_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: 175
Temperature: 1.000000
Total energy: -1405.822948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.822948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.822948 (E_RNA)
where:
Base-Base interactions energy: -832.962
where: short stacking energy: -311.855
Base-Backbone interact. energy: -2.728
local terms energy: -354.132967
where:
bonds (distance) C4'-P energy: -73.628
bonds (distance) P-C4' energy: -77.607
flat angles C4'-P-C4' energy: -76.563
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -75.907
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1348.928521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.928521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.128521 (E_RNA)
where:
Base-Base interactions energy: -798.281
where: short stacking energy: -340.877
Base-Backbone interact. energy: -0.251
local terms energy: -350.596557
where:
bonds (distance) C4'-P energy: -61.563
bonds (distance) P-C4' energy: -73.891
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: -91.402
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1250.040669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.040669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.640669 (E_RNA)
where:
Base-Base interactions energy: -717.054
where: short stacking energy: -297.857
Base-Backbone interact. energy: -1.284
local terms energy: -319.302501
where:
bonds (distance) C4'-P energy: -60.463
bonds (distance) P-C4' energy: -62.708
flat angles C4'-P-C4' energy: -75.250
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1218.650954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.650954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.050954 (E_RNA)
where:
Base-Base interactions energy: -711.901
where: short stacking energy: -298.377
Base-Backbone interact. energy: -2.703
local terms energy: -293.447055
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -56.267
flat angles C4'-P-C4' energy: -73.820
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -67.872
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1212.588072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.588072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.788072 (E_RNA)
where:
Base-Base interactions energy: -686.936
where: short stacking energy: -276.304
Base-Backbone interact. energy: -2.340
local terms energy: -323.512100
where:
bonds (distance) C4'-P energy: -77.204
bonds (distance) P-C4' energy: -71.013
flat angles C4'-P-C4' energy: -67.432
flat angles P-C4'-P energy: -42.559
tors. eta vs tors. theta energy: -65.304
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1136.976171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.976171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.976171 (E_RNA)
where:
Base-Base interactions energy: -662.396
where: short stacking energy: -263.375
Base-Backbone interact. energy: 1.129
local terms energy: -277.709002
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -56.824
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -62.597
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -985.311892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.311892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.511892 (E_RNA)
where:
Base-Base interactions energy: -541.323
where: short stacking energy: -228.685
Base-Backbone interact. energy: -0.940
local terms energy: -279.248505
where:
bonds (distance) C4'-P energy: -58.627
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -66.014
flat angles P-C4'-P energy: -35.169
tors. eta vs tors. theta energy: -59.838
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -828.609075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.609075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.209075 (E_RNA)
where:
Base-Base interactions energy: -442.069
where: short stacking energy: -192.040
Base-Backbone interact. energy: -1.395
local terms energy: -244.744910
where:
bonds (distance) C4'-P energy: -45.137
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -72.789
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -34.500
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1413.204015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.204015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.404015 (E_RNA)
where:
Base-Base interactions energy: -840.609
where: short stacking energy: -334.270
Base-Backbone interact. energy: -0.982
local terms energy: -362.812763
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -68.310
flat angles C4'-P-C4' energy: -82.290
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -99.334
Dist. restrs. and SS energy: -208.800 (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: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1382.612117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.612117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.012117 (E_RNA)
where:
Base-Base interactions energy: -803.512
where: short stacking energy: -329.303
Base-Backbone interact. energy: -1.918
local terms energy: -375.581358
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -77.657
flat angles C4'-P-C4' energy: -82.224
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: -92.988
Dist. restrs. and SS energy: -201.600 (S_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: 176
Temperature: 1.000000
Total energy: -1379.665238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.665238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.665238 (E_RNA)
where:
Base-Base interactions energy: -837.784
where: short stacking energy: -336.468
Base-Backbone interact. energy: -3.903
local terms energy: -330.977560
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -78.003
flat angles P-C4'-P energy: -47.637
tors. eta vs tors. theta energy: -81.719
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1338.601015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.601015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.601015 (E_RNA)
where:
Base-Base interactions energy: -810.503
where: short stacking energy: -328.673
Base-Backbone interact. energy: -2.434
local terms energy: -318.663629
where:
bonds (distance) C4'-P energy: -57.571
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -71.952
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -83.053
Dist. restrs. and SS energy: -207.000 (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: 176
Temperature: 1.100000
Total energy: -1239.771068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.771068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.571068 (E_RNA)
where:
Base-Base interactions energy: -732.477
where: short stacking energy: -287.843
Base-Backbone interact. energy: -3.201
local terms energy: -289.892650
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -71.701
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -63.215
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1206.459918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.459918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.259918 (E_RNA)
where:
Base-Base interactions energy: -691.853
where: short stacking energy: -274.959
Base-Backbone interact. energy: -1.808
local terms energy: -298.598616
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -71.531
flat angles P-C4'-P energy: -46.418
tors. eta vs tors. theta energy: -70.578
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1200.052321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.052321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.052321 (E_RNA)
where:
Base-Base interactions energy: -695.834
where: short stacking energy: -268.030
Base-Backbone interact. energy: 1.272
local terms energy: -316.490152
where:
bonds (distance) C4'-P energy: -68.623
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -69.834
flat angles P-C4'-P energy: -47.827
tors. eta vs tors. theta energy: -68.876
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1107.959894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.959894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.359894 (E_RNA)
where:
Base-Base interactions energy: -621.564
where: short stacking energy: -255.906
Base-Backbone interact. energy: -0.330
local terms energy: -284.466031
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -66.039
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -64.204
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1002.896483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.896483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.496483 (E_RNA)
where:
Base-Base interactions energy: -544.309
where: short stacking energy: -219.010
Base-Backbone interact. energy: -1.082
local terms energy: -281.105521
where:
bonds (distance) C4'-P energy: -62.515
bonds (distance) P-C4' energy: -69.284
flat angles C4'-P-C4' energy: -62.065
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: -45.095
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -830.473159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.273159 (E_RNA)
where:
Base-Base interactions energy: -445.129
where: short stacking energy: -184.922
Base-Backbone interact. energy: -1.124
local terms energy: -233.019965
where:
bonds (distance) C4'-P energy: -71.640
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: -151.200 (S_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: 177
Temperature: 0.900000
Total energy: -1443.718569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.718569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.118569 (E_RNA)
where:
Base-Base interactions energy: -840.514
where: short stacking energy: -346.046
Base-Backbone interact. energy: -3.595
local terms energy: -389.009442
where:
bonds (distance) C4'-P energy: -77.075
bonds (distance) P-C4' energy: -72.776
flat angles C4'-P-C4' energy: -86.458
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -97.274
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1411.330814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.330814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.130814 (E_RNA)
where:
Base-Base interactions energy: -845.596
where: short stacking energy: -328.342
Base-Backbone interact. energy: -3.100
local terms energy: -348.435265
where:
bonds (distance) C4'-P energy: -76.826
bonds (distance) P-C4' energy: -62.872
flat angles C4'-P-C4' energy: -77.699
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -81.491
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1365.474901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.474901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.274901 (E_RNA)
where:
Base-Base interactions energy: -821.166
where: short stacking energy: -321.911
Base-Backbone interact. energy: -0.272
local terms energy: -347.837026
where:
bonds (distance) C4'-P energy: -66.366
bonds (distance) P-C4' energy: -69.690
flat angles C4'-P-C4' energy: -78.060
flat angles P-C4'-P energy: -47.700
tors. eta vs tors. theta energy: -86.020
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1354.342184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.342184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.542184 (E_RNA)
where:
Base-Base interactions energy: -813.825
where: short stacking energy: -318.859
Base-Backbone interact. energy: -3.979
local terms energy: -336.738167
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -69.627
flat angles C4'-P-C4' energy: -72.553
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -84.565
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1259.850797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.850797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.650797 (E_RNA)
where:
Base-Base interactions energy: -710.541
where: short stacking energy: -294.137
Base-Backbone interact. energy: 0.623
local terms energy: -335.732987
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -79.958
flat angles C4'-P-C4' energy: -72.389
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -71.212
Dist. restrs. and SS energy: -214.200 (S_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: 177
Temperature: 1.150000
Total energy: -1253.007661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.007661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.407661 (E_RNA)
where:
Base-Base interactions energy: -732.629
where: short stacking energy: -307.092
Base-Backbone interact. energy: 3.785
local terms energy: -331.563662
where:
bonds (distance) C4'-P energy: -59.692
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -80.912
flat angles P-C4'-P energy: -39.960
tors. eta vs tors. theta energy: -85.448
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1201.747292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.747292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.947292 (E_RNA)
where:
Base-Base interactions energy: -679.840
where: short stacking energy: -257.587
Base-Backbone interact. energy: -0.029
local terms energy: -313.078540
where:
bonds (distance) C4'-P energy: -73.018
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -71.436
flat angles P-C4'-P energy: -46.527
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1129.969599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.969599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.769599 (E_RNA)
where:
Base-Base interactions energy: -670.759
where: short stacking energy: -267.552
Base-Backbone interact. energy: 2.706
local terms energy: -265.716841
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -54.490
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -63.858
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1028.743001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.743001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.743001 (E_RNA)
where:
Base-Base interactions energy: -581.943
where: short stacking energy: -261.724
Base-Backbone interact. energy: -1.264
local terms energy: -265.536056
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -64.382
flat angles P-C4'-P energy: -37.827
tors. eta vs tors. theta energy: -50.072
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -864.565700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.565700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.965700 (E_RNA)
where:
Base-Base interactions energy: -482.753
where: short stacking energy: -205.223
Base-Backbone interact. energy: 0.324
local terms energy: -225.536463
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -43.152
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1446.791885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.791885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.391885 (E_RNA)
where:
Base-Base interactions energy: -845.775
where: short stacking energy: -339.597
Base-Backbone interact. energy: -0.963
local terms energy: -387.653581
where:
bonds (distance) C4'-P energy: -65.201
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -82.692
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -100.268
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1393.072650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.072650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.872650 (E_RNA)
where:
Base-Base interactions energy: -818.736
where: short stacking energy: -322.501
Base-Backbone interact. energy: -3.039
local terms energy: -357.098175
where:
bonds (distance) C4'-P energy: -70.181
bonds (distance) P-C4' energy: -76.649
flat angles C4'-P-C4' energy: -74.157
flat angles P-C4'-P energy: -56.827
tors. eta vs tors. theta energy: -79.284
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1350.740054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.740054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.140054 (E_RNA)
where:
Base-Base interactions energy: -795.861
where: short stacking energy: -315.923
Base-Backbone interact. energy: -3.073
local terms energy: -350.206151
where:
bonds (distance) C4'-P energy: -67.129
bonds (distance) P-C4' energy: -74.113
flat angles C4'-P-C4' energy: -79.096
flat angles P-C4'-P energy: -46.993
tors. eta vs tors. theta energy: -82.875
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1338.634267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.634267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.434267 (E_RNA)
where:
Base-Base interactions energy: -796.045
where: short stacking energy: -322.621
Base-Backbone interact. energy: 0.867
local terms energy: -338.255760
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -57.293
flat angles C4'-P-C4' energy: -75.499
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -93.157
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1219.281256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.281256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.281256 (E_RNA)
where:
Base-Base interactions energy: -677.024
where: short stacking energy: -281.633
Base-Backbone interact. energy: -1.357
local terms energy: -333.900673
where:
bonds (distance) C4'-P energy: -66.877
bonds (distance) P-C4' energy: -63.871
flat angles C4'-P-C4' energy: -74.536
flat angles P-C4'-P energy: -54.398
tors. eta vs tors. theta energy: -74.219
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1255.675442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.675442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.675442 (E_RNA)
where:
Base-Base interactions energy: -726.976
where: short stacking energy: -300.346
Base-Backbone interact. energy: -0.611
local terms energy: -330.089279
where:
bonds (distance) C4'-P energy: -77.251
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -45.155
tors. eta vs tors. theta energy: -82.191
Dist. restrs. and SS energy: -198.000 (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: 178
Temperature: 1.200000
Total energy: -1206.304327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.304327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.104327 (E_RNA)
where:
Base-Base interactions energy: -675.331
where: short stacking energy: -260.725
Base-Backbone interact. energy: -0.657
local terms energy: -316.116176
where:
bonds (distance) C4'-P energy: -67.168
bonds (distance) P-C4' energy: -67.137
flat angles C4'-P-C4' energy: -71.088
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -63.544
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1150.849307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.849307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.449307 (E_RNA)
where:
Base-Base interactions energy: -642.110
where: short stacking energy: -264.240
Base-Backbone interact. energy: -2.048
local terms energy: -312.291486
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -74.067
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -68.484
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1012.454926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.454926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.854926 (E_RNA)
where:
Base-Base interactions energy: -561.178
where: short stacking energy: -224.528
Base-Backbone interact. energy: -2.249
local terms energy: -274.427587
where:
bonds (distance) C4'-P energy: -59.893
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: -49.101
Dist. restrs. and SS energy: -174.600 (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: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -888.568534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.568534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.968534 (E_RNA)
where:
Base-Base interactions energy: -496.785
where: short stacking energy: -209.478
Base-Backbone interact. energy: -1.967
local terms energy: -233.216669
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -30.130
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1428.263396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.263396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.463396 (E_RNA)
where:
Base-Base interactions energy: -841.134
where: short stacking energy: -337.730
Base-Backbone interact. energy: -2.242
local terms energy: -376.086949
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -75.744
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -49.013
tors. eta vs tors. theta energy: -96.972
Dist. restrs. and SS energy: -208.800 (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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1394.714926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.714926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.714926 (E_RNA)
where:
Base-Base interactions energy: -845.461
where: short stacking energy: -330.655
Base-Backbone interact. energy: -2.059
local terms energy: -349.194735
where:
bonds (distance) C4'-P energy: -74.244
bonds (distance) P-C4' energy: -70.788
flat angles C4'-P-C4' energy: -73.213
flat angles P-C4'-P energy: -50.557
tors. eta vs tors. theta energy: -80.393
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1397.266557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.266557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.066557 (E_RNA)
where:
Base-Base interactions energy: -826.593
where: short stacking energy: -325.559
Base-Backbone interact. energy: -1.115
local terms energy: -355.357915
where:
bonds (distance) C4'-P energy: -70.950
bonds (distance) P-C4' energy: -79.259
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -51.646
tors. eta vs tors. theta energy: -81.084
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1357.340387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.340387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.340387 (E_RNA)
where:
Base-Base interactions energy: -801.027
where: short stacking energy: -319.130
Base-Backbone interact. energy: 1.605
local terms energy: -350.917948
where:
bonds (distance) C4'-P energy: -66.885
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -75.864
flat angles P-C4'-P energy: -50.118
tors. eta vs tors. theta energy: -87.995
Dist. restrs. and SS energy: -207.000 (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: 179
Temperature: 1.100000
Total energy: -1220.914782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.914782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.914782 (E_RNA)
where:
Base-Base interactions energy: -696.221
where: short stacking energy: -272.758
Base-Backbone interact. energy: 2.311
local terms energy: -320.004328
where:
bonds (distance) C4'-P energy: -60.339
bonds (distance) P-C4' energy: -67.189
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -67.957
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1222.607662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.607662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.407662 (E_RNA)
where:
Base-Base interactions energy: -707.889
where: short stacking energy: -266.575
Base-Backbone interact. energy: 1.216
local terms energy: -301.734946
where:
bonds (distance) C4'-P energy: -66.313
bonds (distance) P-C4' energy: -68.837
flat angles C4'-P-C4' energy: -62.757
flat angles P-C4'-P energy: -48.392
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1205.550469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.550469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.950469 (E_RNA)
where:
Base-Base interactions energy: -709.306
where: short stacking energy: -294.502
Base-Backbone interact. energy: 1.707
local terms energy: -296.351149
where:
bonds (distance) C4'-P energy: -50.310
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -71.903
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -71.667
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1112.234356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.234356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.034356 (E_RNA)
where:
Base-Base interactions energy: -637.725
where: short stacking energy: -263.739
Base-Backbone interact. energy: -0.557
local terms energy: -277.752527
where:
bonds (distance) C4'-P energy: -54.519
bonds (distance) P-C4' energy: -57.418
flat angles C4'-P-C4' energy: -66.409
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -56.098
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -999.872319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.872319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.072319 (E_RNA)
where:
Base-Base interactions energy: -571.568
where: short stacking energy: -225.126
Base-Backbone interact. energy: -1.638
local terms energy: -244.865972
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -48.606
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -880.765364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.765364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.165364 (E_RNA)
where:
Base-Base interactions energy: -495.908
where: short stacking energy: -194.947
Base-Backbone interact. energy: -1.621
local terms energy: -226.636168
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -60.374
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1444.310398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.310398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.310398 (E_RNA)
where:
Base-Base interactions energy: -869.375
where: short stacking energy: -361.053
Base-Backbone interact. energy: 4.455
local terms energy: -372.390840
where:
bonds (distance) C4'-P energy: -70.567
bonds (distance) P-C4' energy: -69.801
flat angles C4'-P-C4' energy: -83.937
flat angles P-C4'-P energy: -53.019
tors. eta vs tors. theta energy: -95.067
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1383.500872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.500872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.700872 (E_RNA)
where:
Base-Base interactions energy: -836.808
where: short stacking energy: -325.260
Base-Backbone interact. energy: -4.341
local terms energy: -342.551673
where:
bonds (distance) C4'-P energy: -67.949
bonds (distance) P-C4' energy: -75.481
flat angles C4'-P-C4' energy: -76.433
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -74.713
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1406.172890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.172890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.572890 (E_RNA)
where:
Base-Base interactions energy: -845.477
where: short stacking energy: -316.892
Base-Backbone interact. energy: -3.276
local terms energy: -346.819879
where:
bonds (distance) C4'-P energy: -65.483
bonds (distance) P-C4' energy: -73.774
flat angles C4'-P-C4' energy: -72.159
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1365.341143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.341143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.941143 (E_RNA)
where:
Base-Base interactions energy: -821.575
where: short stacking energy: -340.830
Base-Backbone interact. energy: 4.635
local terms energy: -345.000607
where:
bonds (distance) C4'-P energy: -59.925
bonds (distance) P-C4' energy: -78.334
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -83.086
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1266.371692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.971692 (E_RNA)
where:
Base-Base interactions energy: -775.214
where: short stacking energy: -288.175
Base-Backbone interact. energy: -0.715
local terms energy: -278.041984
where:
bonds (distance) C4'-P energy: -57.317
bonds (distance) P-C4' energy: -55.336
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: -67.185
Dist. restrs. and SS energy: -212.400 (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: 180
Temperature: 1.150000
Total energy: -1224.309598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.309598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.309598 (E_RNA)
where:
Base-Base interactions energy: -695.463
where: short stacking energy: -271.988
Base-Backbone interact. energy: -0.254
local terms energy: -321.593122
where:
bonds (distance) C4'-P energy: -69.924
bonds (distance) P-C4' energy: -65.289
flat angles C4'-P-C4' energy: -75.249
flat angles P-C4'-P energy: -44.003
tors. eta vs tors. theta energy: -67.127
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1177.952595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.952595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.752595 (E_RNA)
where:
Base-Base interactions energy: -683.520
where: short stacking energy: -277.265
Base-Backbone interact. energy: 2.673
local terms energy: -300.906227
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -59.223
flat angles C4'-P-C4' energy: -74.729
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -73.025
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1114.498943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.498943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.098943 (E_RNA)
where:
Base-Base interactions energy: -642.827
where: short stacking energy: -271.528
Base-Backbone interact. energy: -0.443
local terms energy: -276.828954
where:
bonds (distance) C4'-P energy: -55.726
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -61.689
Dist. restrs. and SS energy: -194.400 (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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -992.393770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.393770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.793770 (E_RNA)
where:
Base-Base interactions energy: -559.504
where: short stacking energy: -218.517
Base-Backbone interact. energy: -0.663
local terms energy: -266.627021
where:
bonds (distance) C4'-P energy: -60.861
bonds (distance) P-C4' energy: -58.617
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -43.874
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -933.568105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.568105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.568105 (E_RNA)
where:
Base-Base interactions energy: -522.678
where: short stacking energy: -212.854
Base-Backbone interact. energy: -0.610
local terms energy: -257.280614
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -58.469
flat angles C4'-P-C4' energy: -64.464
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -38.264
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1432.845054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.845054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.245054 (E_RNA)
where:
Base-Base interactions energy: -862.891
where: short stacking energy: -345.422
Base-Backbone interact. energy: -2.227
local terms energy: -357.126997
where:
bonds (distance) C4'-P energy: -67.451
bonds (distance) P-C4' energy: -73.793
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -48.197
tors. eta vs tors. theta energy: -86.994
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1410.891418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.891418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.291418 (E_RNA)
where:
Base-Base interactions energy: -845.371
where: short stacking energy: -335.223
Base-Backbone interact. energy: 1.518
local terms energy: -365.438857
where:
bonds (distance) C4'-P energy: -66.431
bonds (distance) P-C4' energy: -72.088
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -92.702
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1402.927127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.927127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.727127 (E_RNA)
where:
Base-Base interactions energy: -837.715
where: short stacking energy: -325.766
Base-Backbone interact. energy: -2.423
local terms energy: -348.588550
where:
bonds (distance) C4'-P energy: -62.131
bonds (distance) P-C4' energy: -76.977
flat angles C4'-P-C4' energy: -84.913
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -74.264
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1341.236064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.236064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.836064 (E_RNA)
where:
Base-Base interactions energy: -792.409
where: short stacking energy: -324.547
Base-Backbone interact. energy: -1.445
local terms energy: -343.982192
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -77.421
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -88.167
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1290.360611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.360611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.360611 (E_RNA)
where:
Base-Base interactions energy: -753.396
where: short stacking energy: -297.333
Base-Backbone interact. energy: 0.975
local terms energy: -321.940182
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -68.394
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -47.740
tors. eta vs tors. theta energy: -79.856
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1221.686343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.686343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.886343 (E_RNA)
where:
Base-Base interactions energy: -723.226
where: short stacking energy: -273.192
Base-Backbone interact. energy: 0.376
local terms energy: -299.036321
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -72.001
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1173.811252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.811252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.811252 (E_RNA)
where:
Base-Base interactions energy: -664.471
where: short stacking energy: -269.626
Base-Backbone interact. energy: -1.488
local terms energy: -300.851570
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -73.506
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -63.209
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1141.260475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.260475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.460475 (E_RNA)
where:
Base-Base interactions energy: -644.325
where: short stacking energy: -255.071
Base-Backbone interact. energy: -0.716
local terms energy: -296.419654
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -58.371
flat angles C4'-P-C4' energy: -70.553
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -63.741
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -986.699481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.699481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.899481 (E_RNA)
where:
Base-Base interactions energy: -544.477
where: short stacking energy: -228.090
Base-Backbone interact. energy: 4.660
local terms energy: -274.082735
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -64.999
flat angles C4'-P-C4' energy: -73.958
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -43.298
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -906.817909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.817909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.817909 (E_RNA)
where:
Base-Base interactions energy: -497.041
where: short stacking energy: -196.483
Base-Backbone interact. energy: 0.162
local terms energy: -256.939186
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -60.772
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -46.869
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1430.432000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.432000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.632000 (E_RNA)
where:
Base-Base interactions energy: -850.120
where: short stacking energy: -341.911
Base-Backbone interact. energy: -1.641
local terms energy: -369.871327
where:
bonds (distance) C4'-P energy: -70.046
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -77.349
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -89.707
Dist. restrs. and SS energy: -208.800 (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: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1388.918849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.918849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.318849 (E_RNA)
where:
Base-Base interactions energy: -836.860
where: short stacking energy: -332.865
Base-Backbone interact. energy: 1.861
local terms energy: -352.320042
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -74.940
flat angles C4'-P-C4' energy: -79.717
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -80.433
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1418.059015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.059015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.059015 (E_RNA)
where:
Base-Base interactions energy: -845.513
where: short stacking energy: -329.708
Base-Backbone interact. energy: 0.079
local terms energy: -356.624886
where:
bonds (distance) C4'-P energy: -72.387
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -78.328
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -89.310
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1351.092122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.092122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.492122 (E_RNA)
where:
Base-Base interactions energy: -783.218
where: short stacking energy: -290.500
Base-Backbone interact. energy: 1.676
local terms energy: -367.950369
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -75.403
flat angles C4'-P-C4' energy: -76.004
flat angles P-C4'-P energy: -54.007
tors. eta vs tors. theta energy: -88.030
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1289.091574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.091574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.091574 (E_RNA)
where:
Base-Base interactions energy: -736.202
where: short stacking energy: -297.911
Base-Backbone interact. energy: -3.927
local terms energy: -332.963029
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -64.135
flat angles C4'-P-C4' energy: -70.530
flat angles P-C4'-P energy: -48.679
tors. eta vs tors. theta energy: -80.922
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1193.355660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.355660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.755660 (E_RNA)
where:
Base-Base interactions energy: -694.943
where: short stacking energy: -284.154
Base-Backbone interact. energy: -3.074
local terms energy: -293.738762
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -65.585
flat angles C4'-P-C4' energy: -69.927
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -71.426
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1167.681774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.681774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.881774 (E_RNA)
where:
Base-Base interactions energy: -667.805
where: short stacking energy: -262.663
Base-Backbone interact. energy: -0.233
local terms energy: -290.843369
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -59.254
flat angles C4'-P-C4' energy: -66.283
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -65.914
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1122.594575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.594575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.994575 (E_RNA)
where:
Base-Base interactions energy: -638.715
where: short stacking energy: -251.970
Base-Backbone interact. energy: -2.010
local terms energy: -280.269844
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -62.171
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -65.923
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -994.683509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.683509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.683509 (E_RNA)
where:
Base-Base interactions energy: -561.913
where: short stacking energy: -234.369
Base-Backbone interact. energy: 0.791
local terms energy: -262.560902
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -886.915719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.915719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.515719 (E_RNA)
where:
Base-Base interactions energy: -493.851
where: short stacking energy: -198.853
Base-Backbone interact. energy: 3.168
local terms energy: -237.832996
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -58.608
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1453.130946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.130946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.530946 (E_RNA)
where:
Base-Base interactions energy: -853.200
where: short stacking energy: -352.228
Base-Backbone interact. energy: -2.086
local terms energy: -387.245083
where:
bonds (distance) C4'-P energy: -68.870
bonds (distance) P-C4' energy: -77.672
flat angles C4'-P-C4' energy: -80.915
flat angles P-C4'-P energy: -62.526
tors. eta vs tors. theta energy: -97.262
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1403.232924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.232924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.432924 (E_RNA)
where:
Base-Base interactions energy: -850.387
where: short stacking energy: -333.071
Base-Backbone interact. energy: -2.441
local terms energy: -350.604889
where:
bonds (distance) C4'-P energy: -70.629
bonds (distance) P-C4' energy: -75.216
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -92.096
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1414.682256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.682256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.482256 (E_RNA)
where:
Base-Base interactions energy: -849.572
where: short stacking energy: -333.655
Base-Backbone interact. energy: -2.315
local terms energy: -348.595351
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -61.708
flat angles C4'-P-C4' energy: -78.884
flat angles P-C4'-P energy: -51.338
tors. eta vs tors. theta energy: -87.238
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1348.451210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.451210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.251210 (E_RNA)
where:
Base-Base interactions energy: -808.365
where: short stacking energy: -331.356
Base-Backbone interact. energy: 1.832
local terms energy: -345.718108
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -69.678
flat angles C4'-P-C4' energy: -76.474
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1274.266652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.266652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.266652 (E_RNA)
where:
Base-Base interactions energy: -743.396
where: short stacking energy: -303.106
Base-Backbone interact. energy: -3.666
local terms energy: -311.204186
where:
bonds (distance) C4'-P energy: -66.857
bonds (distance) P-C4' energy: -66.117
flat angles C4'-P-C4' energy: -71.130
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -72.881
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1219.980520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.980520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.980520 (E_RNA)
where:
Base-Base interactions energy: -684.195
where: short stacking energy: -289.239
Base-Backbone interact. energy: 0.805
local terms energy: -338.591043
where:
bonds (distance) C4'-P energy: -74.558
bonds (distance) P-C4' energy: -71.866
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -55.625
tors. eta vs tors. theta energy: -74.234
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1201.702895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.702895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.302895 (E_RNA)
where:
Base-Base interactions energy: -701.235
where: short stacking energy: -284.920
Base-Backbone interact. energy: 2.567
local terms energy: -299.634878
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -69.710
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -69.955
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1131.759091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.759091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.559091 (E_RNA)
where:
Base-Base interactions energy: -652.462
where: short stacking energy: -260.237
Base-Backbone interact. energy: -0.164
local terms energy: -282.933032
where:
bonds (distance) C4'-P energy: -57.496
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -72.557
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -970.729608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.729608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.729608 (E_RNA)
where:
Base-Base interactions energy: -535.694
where: short stacking energy: -218.402
Base-Backbone interact. energy: -0.927
local terms energy: -272.108263
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -45.343
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: -48.446
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -901.220855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.220855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.220855 (E_RNA)
where:
Base-Base interactions energy: -502.766
where: short stacking energy: -191.136
Base-Backbone interact. energy: -0.663
local terms energy: -244.791507
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -64.439
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1428.839839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.839839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.839839 (E_RNA)
where:
Base-Base interactions energy: -843.939
where: short stacking energy: -350.390
Base-Backbone interact. energy: -3.992
local terms energy: -373.908948
where:
bonds (distance) C4'-P energy: -75.046
bonds (distance) P-C4' energy: -66.121
flat angles C4'-P-C4' energy: -82.349
flat angles P-C4'-P energy: -52.908
tors. eta vs tors. theta energy: -97.484
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1364.908248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.908248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.108248 (E_RNA)
where:
Base-Base interactions energy: -822.301
where: short stacking energy: -332.026
Base-Backbone interact. energy: -2.745
local terms energy: -340.061903
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -65.686
flat angles C4'-P-C4' energy: -71.274
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -84.621
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1407.696507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.696507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.096507 (E_RNA)
where:
Base-Base interactions energy: -846.487
where: short stacking energy: -333.811
Base-Backbone interact. energy: -1.864
local terms energy: -348.745378
where:
bonds (distance) C4'-P energy: -67.862
bonds (distance) P-C4' energy: -81.803
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -47.444
tors. eta vs tors. theta energy: -85.570
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1351.089055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.089055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.489055 (E_RNA)
where:
Base-Base interactions energy: -807.732
where: short stacking energy: -324.445
Base-Backbone interact. energy: -0.343
local terms energy: -341.414013
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -75.811
flat angles C4'-P-C4' energy: -72.739
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -79.625
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1286.514670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.514670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.314670 (E_RNA)
where:
Base-Base interactions energy: -761.879
where: short stacking energy: -297.400
Base-Backbone interact. energy: -1.907
local terms energy: -308.528621
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -50.341
tors. eta vs tors. theta energy: -61.803
Dist. restrs. and SS energy: -214.200 (S_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: 184
Temperature: 1.150000
Total energy: -1222.840383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.840383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.240383 (E_RNA)
where:
Base-Base interactions energy: -709.190
where: short stacking energy: -283.498
Base-Backbone interact. energy: -0.099
local terms energy: -311.950776
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -72.097
flat angles C4'-P-C4' energy: -67.173
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -71.988
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1166.890100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.890100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.090100 (E_RNA)
where:
Base-Base interactions energy: -694.477
where: short stacking energy: -278.178
Base-Backbone interact. energy: 5.266
local terms energy: -268.879099
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -60.701
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1099.032905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.032905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.232905 (E_RNA)
where:
Base-Base interactions energy: -605.251
where: short stacking energy: -239.668
Base-Backbone interact. energy: -0.640
local terms energy: -302.341609
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -72.890
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -63.723
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -969.542808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.542808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.342808 (E_RNA)
where:
Base-Base interactions energy: -540.052
where: short stacking energy: -223.209
Base-Backbone interact. energy: 1.665
local terms energy: -270.955336
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -75.394
flat angles C4'-P-C4' energy: -62.436
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -36.543
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -986.811147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.811147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.411147 (E_RNA)
where:
Base-Base interactions energy: -539.699
where: short stacking energy: -230.888
Base-Backbone interact. energy: -0.576
local terms energy: -279.135791
where:
bonds (distance) C4'-P energy: -53.413
bonds (distance) P-C4' energy: -61.242
flat angles C4'-P-C4' energy: -73.440
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -55.538
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1415.883651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.883651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.083651 (E_RNA)
where:
Base-Base interactions energy: -838.728
where: short stacking energy: -345.225
Base-Backbone interact. energy: 5.519
local terms energy: -373.874421
where:
bonds (distance) C4'-P energy: -74.236
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -81.072
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -89.371
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1420.466582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.466582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.266582 (E_RNA)
where:
Base-Base interactions energy: -838.234
where: short stacking energy: -329.412
Base-Backbone interact. energy: -2.552
local terms energy: -365.480708
where:
bonds (distance) C4'-P energy: -63.451
bonds (distance) P-C4' energy: -72.116
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -51.749
tors. eta vs tors. theta energy: -93.018
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1369.804729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.804729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.004729 (E_RNA)
where:
Base-Base interactions energy: -804.186
where: short stacking energy: -328.065
Base-Backbone interact. energy: 2.673
local terms energy: -368.492130
where:
bonds (distance) C4'-P energy: -60.854
bonds (distance) P-C4' energy: -80.785
flat angles C4'-P-C4' energy: -83.592
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -85.008
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1335.240345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.240345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.840345 (E_RNA)
where:
Base-Base interactions energy: -785.804
where: short stacking energy: -323.210
Base-Backbone interact. energy: -1.150
local terms energy: -344.886785
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -72.593
flat angles C4'-P-C4' energy: -76.147
flat angles P-C4'-P energy: -48.621
tors. eta vs tors. theta energy: -88.973
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1270.255913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.255913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.255913 (E_RNA)
where:
Base-Base interactions energy: -732.711
where: short stacking energy: -281.594
Base-Backbone interact. energy: -1.893
local terms energy: -319.651400
where:
bonds (distance) C4'-P energy: -67.899
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -71.187
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -75.126
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1221.409183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.409183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.609183 (E_RNA)
where:
Base-Base interactions energy: -714.419
where: short stacking energy: -281.166
Base-Backbone interact. energy: -2.612
local terms energy: -304.578033
where:
bonds (distance) C4'-P energy: -62.610
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -73.847
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1172.146377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.146377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.746377 (E_RNA)
where:
Base-Base interactions energy: -687.364
where: short stacking energy: -267.626
Base-Backbone interact. energy: 3.827
local terms energy: -294.209491
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -59.545
flat angles C4'-P-C4' energy: -71.367
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -63.897
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1124.829392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.829392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.829392 (E_RNA)
where:
Base-Base interactions energy: -632.774
where: short stacking energy: -263.109
Base-Backbone interact. energy: -0.619
local terms energy: -293.436421
where:
bonds (distance) C4'-P energy: -60.062
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -65.461
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1012.938270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.938270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.938270 (E_RNA)
where:
Base-Base interactions energy: -592.412
where: short stacking energy: -254.073
Base-Backbone interact. energy: -2.211
local terms energy: -256.315695
where:
bonds (distance) C4'-P energy: -55.601
bonds (distance) P-C4' energy: -62.111
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -48.748
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -991.413349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.413349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.213349 (E_RNA)
where:
Base-Base interactions energy: -547.025
where: short stacking energy: -232.495
Base-Backbone interact. energy: -0.811
local terms energy: -274.376892
where:
bonds (distance) C4'-P energy: -67.741
bonds (distance) P-C4' energy: -58.136
flat angles C4'-P-C4' energy: -64.203
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -49.176
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1470.404231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.404231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.404231 (E_RNA)
where:
Base-Base interactions energy: -869.992
where: short stacking energy: -358.060
Base-Backbone interact. energy: -3.416
local terms energy: -380.996386
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -82.980
flat angles P-C4'-P energy: -61.476
tors. eta vs tors. theta energy: -95.904
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1404.382455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.382455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.182455 (E_RNA)
where:
Base-Base interactions energy: -832.615
where: short stacking energy: -326.451
Base-Backbone interact. energy: -2.087
local terms energy: -355.479822
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -81.312
flat angles C4'-P-C4' energy: -76.482
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -83.332
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1321.245587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.245587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.445587 (E_RNA)
where:
Base-Base interactions energy: -789.020
where: short stacking energy: -323.604
Base-Backbone interact. energy: -0.443
local terms energy: -331.983153
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -78.988
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: -81.449
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1339.543940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.543940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.143940 (E_RNA)
where:
Base-Base interactions energy: -787.560
where: short stacking energy: -316.172
Base-Backbone interact. energy: -0.263
local terms energy: -348.320802
where:
bonds (distance) C4'-P energy: -70.493
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -51.474
tors. eta vs tors. theta energy: -85.226
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1246.511792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.511792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.511792 (E_RNA)
where:
Base-Base interactions energy: -719.024
where: short stacking energy: -273.347
Base-Backbone interact. energy: -3.930
local terms energy: -307.556990
where:
bonds (distance) C4'-P energy: -61.345
bonds (distance) P-C4' energy: -68.442
flat angles C4'-P-C4' energy: -66.185
flat angles P-C4'-P energy: -49.114
tors. eta vs tors. theta energy: -62.471
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1238.298053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.498053 (E_RNA)
where:
Base-Base interactions energy: -721.439
where: short stacking energy: -298.447
Base-Backbone interact. energy: -1.672
local terms energy: -315.386853
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -71.304
flat angles C4'-P-C4' energy: -76.045
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -71.193
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1157.307134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.307134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.107134 (E_RNA)
where:
Base-Base interactions energy: -660.696
where: short stacking energy: -254.309
Base-Backbone interact. energy: -2.504
local terms energy: -288.907095
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -57.387
flat angles C4'-P-C4' energy: -69.753
flat angles P-C4'-P energy: -41.267
tors. eta vs tors. theta energy: -63.156
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1115.789675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.789675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.389675 (E_RNA)
where:
Base-Base interactions energy: -655.316
where: short stacking energy: -249.732
Base-Backbone interact. energy: 1.579
local terms energy: -267.653230
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -53.313
flat angles C4'-P-C4' energy: -66.977
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -62.553
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1003.176131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.176131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.776131 (E_RNA)
where:
Base-Base interactions energy: -571.052
where: short stacking energy: -231.261
Base-Backbone interact. energy: -0.837
local terms energy: -272.886920
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -50.511
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -60.640
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -945.712557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.712557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.112557 (E_RNA)
where:
Base-Base interactions energy: -535.516
where: short stacking energy: -226.544
Base-Backbone interact. energy: 0.524
local terms energy: -245.119761
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -61.041
flat angles C4'-P-C4' energy: -57.999
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -49.533
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1477.280256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.280256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.080256 (E_RNA)
where:
Base-Base interactions energy: -884.106
where: short stacking energy: -360.600
Base-Backbone interact. energy: 1.415
local terms energy: -380.388995
where:
bonds (distance) C4'-P energy: -74.673
bonds (distance) P-C4' energy: -70.896
flat angles C4'-P-C4' energy: -84.125
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -88.868
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1387.423784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.423784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.423784 (E_RNA)
where:
Base-Base interactions energy: -808.440
where: short stacking energy: -334.139
Base-Backbone interact. energy: -1.536
local terms energy: -361.448039
where:
bonds (distance) C4'-P energy: -71.263
bonds (distance) P-C4' energy: -81.731
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -54.831
tors. eta vs tors. theta energy: -81.636
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1321.099888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.099888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.299888 (E_RNA)
where:
Base-Base interactions energy: -787.727
where: short stacking energy: -315.042
Base-Backbone interact. energy: 0.102
local terms energy: -333.673976
where:
bonds (distance) C4'-P energy: -73.406
bonds (distance) P-C4' energy: -69.384
flat angles C4'-P-C4' energy: -80.184
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -73.271
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1376.219681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.219681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.219681 (E_RNA)
where:
Base-Base interactions energy: -821.588
where: short stacking energy: -334.301
Base-Backbone interact. energy: 0.579
local terms energy: -357.210401
where:
bonds (distance) C4'-P energy: -69.670
bonds (distance) P-C4' energy: -67.189
flat angles C4'-P-C4' energy: -73.370
flat angles P-C4'-P energy: -57.546
tors. eta vs tors. theta energy: -89.436
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1265.901724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.901724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.501724 (E_RNA)
where:
Base-Base interactions energy: -730.933
where: short stacking energy: -307.892
Base-Backbone interact. energy: -0.952
local terms energy: -321.616057
where:
bonds (distance) C4'-P energy: -68.522
bonds (distance) P-C4' energy: -62.842
flat angles C4'-P-C4' energy: -76.902
flat angles P-C4'-P energy: -40.037
tors. eta vs tors. theta energy: -73.312
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1237.608124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.608124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.608124 (E_RNA)
where:
Base-Base interactions energy: -726.241
where: short stacking energy: -300.267
Base-Backbone interact. energy: -1.236
local terms energy: -312.131525
where:
bonds (distance) C4'-P energy: -59.600
bonds (distance) P-C4' energy: -64.912
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -51.501
tors. eta vs tors. theta energy: -78.750
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1159.598838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.598838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.398838 (E_RNA)
where:
Base-Base interactions energy: -678.266
where: short stacking energy: -254.028
Base-Backbone interact. energy: 3.034
local terms energy: -279.167006
where:
bonds (distance) C4'-P energy: -61.725
bonds (distance) P-C4' energy: -69.908
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -27.481
tors. eta vs tors. theta energy: -54.288
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1122.282459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.282459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.282459 (E_RNA)
where:
Base-Base interactions energy: -628.903
where: short stacking energy: -263.107
Base-Backbone interact. energy: -1.301
local terms energy: -294.078521
where:
bonds (distance) C4'-P energy: -58.700
bonds (distance) P-C4' energy: -66.342
flat angles C4'-P-C4' energy: -64.532
flat angles P-C4'-P energy: -45.252
tors. eta vs tors. theta energy: -59.253
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1019.846541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.846541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.846541 (E_RNA)
where:
Base-Base interactions energy: -583.379
where: short stacking energy: -238.890
Base-Backbone interact. energy: 1.552
local terms energy: -276.019193
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -68.056
flat angles C4'-P-C4' energy: -64.901
flat angles P-C4'-P energy: -27.131
tors. eta vs tors. theta energy: -55.698
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1010.795846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.795846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.195846 (E_RNA)
where:
Base-Base interactions energy: -551.173
where: short stacking energy: -230.501
Base-Backbone interact. energy: -0.510
local terms energy: -293.512243
where:
bonds (distance) C4'-P energy: -68.451
bonds (distance) P-C4' energy: -52.780
flat angles C4'-P-C4' energy: -73.848
flat angles P-C4'-P energy: -37.086
tors. eta vs tors. theta energy: -61.347
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1448.826291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.826291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.626291 (E_RNA)
where:
Base-Base interactions energy: -861.083
where: short stacking energy: -346.248
Base-Backbone interact. energy: -2.798
local terms energy: -370.744825
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -75.397
flat angles C4'-P-C4' energy: -72.970
flat angles P-C4'-P energy: -59.567
tors. eta vs tors. theta energy: -92.587
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1401.729375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.729375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.729375 (E_RNA)
where:
Base-Base interactions energy: -822.392
where: short stacking energy: -341.234
Base-Backbone interact. energy: -3.450
local terms energy: -359.887191
where:
bonds (distance) C4'-P energy: -74.040
bonds (distance) P-C4' energy: -71.972
flat angles C4'-P-C4' energy: -72.754
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: -92.342
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1384.446943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.446943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.046943 (E_RNA)
where:
Base-Base interactions energy: -829.547
where: short stacking energy: -327.724
Base-Backbone interact. energy: -1.759
local terms energy: -349.740745
where:
bonds (distance) C4'-P energy: -69.082
bonds (distance) P-C4' energy: -68.877
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -61.109
tors. eta vs tors. theta energy: -76.373
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1258.541686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.541686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.541686 (E_RNA)
where:
Base-Base interactions energy: -737.444
where: short stacking energy: -298.261
Base-Backbone interact. energy: -2.130
local terms energy: -329.968005
where:
bonds (distance) C4'-P energy: -74.833
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -81.737
flat angles P-C4'-P energy: -45.727
tors. eta vs tors. theta energy: -71.407
Dist. restrs. and SS energy: -189.000 (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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1243.523830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.523830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.323830 (E_RNA)
where:
Base-Base interactions energy: -724.494
where: short stacking energy: -296.288
Base-Backbone interact. energy: -0.418
local terms energy: -322.411848
where:
bonds (distance) C4'-P energy: -69.087
bonds (distance) P-C4' energy: -61.199
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -76.901
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1237.409441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.409441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.609441 (E_RNA)
where:
Base-Base interactions energy: -712.267
where: short stacking energy: -283.791
Base-Backbone interact. energy: 0.339
local terms energy: -316.681837
where:
bonds (distance) C4'-P energy: -66.363
bonds (distance) P-C4' energy: -64.770
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -45.052
tors. eta vs tors. theta energy: -65.331
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1159.834047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.834047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.034047 (E_RNA)
where:
Base-Base interactions energy: -662.991
where: short stacking energy: -265.813
Base-Backbone interact. energy: -1.718
local terms energy: -304.324851
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -72.288
flat angles P-C4'-P energy: -46.723
tors. eta vs tors. theta energy: -69.086
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1107.332203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.332203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.932203 (E_RNA)
where:
Base-Base interactions energy: -629.789
where: short stacking energy: -251.270
Base-Backbone interact. energy: -0.955
local terms energy: -264.188535
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -53.864
Dist. restrs. and SS energy: -212.400 (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: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1009.335894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.335894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.535894 (E_RNA)
where:
Base-Base interactions energy: -581.042
where: short stacking energy: -240.085
Base-Backbone interact. energy: 2.158
local terms energy: -266.652162
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -66.149
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: -63.567
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -989.905929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.905929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.105929 (E_RNA)
where:
Base-Base interactions energy: -550.246
where: short stacking energy: -227.701
Base-Backbone interact. energy: -1.677
local terms energy: -265.183807
where:
bonds (distance) C4'-P energy: -57.396
bonds (distance) P-C4' energy: -59.728
flat angles C4'-P-C4' energy: -64.816
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -51.437
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1440.034023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.034023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.034023 (E_RNA)
where:
Base-Base interactions energy: -856.233
where: short stacking energy: -344.676
Base-Backbone interact. energy: 2.411
local terms energy: -370.211962
where:
bonds (distance) C4'-P energy: -80.790
bonds (distance) P-C4' energy: -67.738
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -50.050
tors. eta vs tors. theta energy: -94.208
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1395.384024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.384024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.184024 (E_RNA)
where:
Base-Base interactions energy: -831.220
where: short stacking energy: -327.731
Base-Backbone interact. energy: -2.471
local terms energy: -347.492298
where:
bonds (distance) C4'-P energy: -78.277
bonds (distance) P-C4' energy: -71.419
flat angles C4'-P-C4' energy: -79.487
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -76.861
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1387.613952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.613952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.813952 (E_RNA)
where:
Base-Base interactions energy: -845.629
where: short stacking energy: -351.824
Base-Backbone interact. energy: -2.848
local terms energy: -339.336852
where:
bonds (distance) C4'-P energy: -60.317
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -78.183
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -80.505
Dist. restrs. and SS energy: -199.800 (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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1297.325631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.325631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.525631 (E_RNA)
where:
Base-Base interactions energy: -760.796
where: short stacking energy: -308.821
Base-Backbone interact. energy: -2.490
local terms energy: -334.239942
where:
bonds (distance) C4'-P energy: -69.886
bonds (distance) P-C4' energy: -69.305
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -81.257
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1267.405036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.405036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.005036 (E_RNA)
where:
Base-Base interactions energy: -740.705
where: short stacking energy: -299.555
Base-Backbone interact. energy: -1.080
local terms energy: -331.220332
where:
bonds (distance) C4'-P energy: -71.916
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -79.584
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1223.909513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.909513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.709513 (E_RNA)
where:
Base-Base interactions energy: -686.374
where: short stacking energy: -289.341
Base-Backbone interact. energy: 4.006
local terms energy: -327.340815
where:
bonds (distance) C4'-P energy: -63.725
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -72.343
flat angles P-C4'-P energy: -52.799
tors. eta vs tors. theta energy: -65.586
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1168.540722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.540722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.340722 (E_RNA)
where:
Base-Base interactions energy: -673.404
where: short stacking energy: -278.466
Base-Backbone interact. energy: 1.299
local terms energy: -300.235916
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: -69.762
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1133.059943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.059943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.659943 (E_RNA)
where:
Base-Base interactions energy: -657.451
where: short stacking energy: -247.251
Base-Backbone interact. energy: -0.879
local terms energy: -271.329465
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -62.621
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -55.119
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -995.163605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.163605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.563605 (E_RNA)
where:
Base-Base interactions energy: -566.169
where: short stacking energy: -231.184
Base-Backbone interact. energy: -0.327
local terms energy: -263.067653
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -68.318
flat angles C4'-P-C4' energy: -68.063
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -45.283
Dist. restrs. and SS energy: -165.600 (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: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -995.059284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.659284 (E_RNA)
where:
Base-Base interactions energy: -544.997
where: short stacking energy: -242.275
Base-Backbone interact. energy: -2.635
local terms energy: -280.027131
where:
bonds (distance) C4'-P energy: -55.742
bonds (distance) P-C4' energy: -65.554
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -41.219
tors. eta vs tors. theta energy: -50.163
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1455.835190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.835190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.835190 (E_RNA)
where:
Base-Base interactions energy: -860.651
where: short stacking energy: -340.787
Base-Backbone interact. energy: -3.532
local terms energy: -375.651493
where:
bonds (distance) C4'-P energy: -75.204
bonds (distance) P-C4' energy: -71.803
flat angles C4'-P-C4' energy: -80.250
flat angles P-C4'-P energy: -57.292
tors. eta vs tors. theta energy: -91.103
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1364.007646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.007646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.807646 (E_RNA)
where:
Base-Base interactions energy: -785.844
where: short stacking energy: -330.633
Base-Backbone interact. energy: -4.204
local terms energy: -359.759613
where:
bonds (distance) C4'-P energy: -59.525
bonds (distance) P-C4' energy: -76.625
flat angles C4'-P-C4' energy: -78.270
flat angles P-C4'-P energy: -57.219
tors. eta vs tors. theta energy: -88.120
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1393.188448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.188448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.588448 (E_RNA)
where:
Base-Base interactions energy: -844.745
where: short stacking energy: -344.474
Base-Backbone interact. energy: 1.013
local terms energy: -347.856716
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -75.069
flat angles C4'-P-C4' energy: -80.479
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: -84.260
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1352.968725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.968725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.568725 (E_RNA)
where:
Base-Base interactions energy: -814.258
where: short stacking energy: -336.571
Base-Backbone interact. energy: 1.248
local terms energy: -345.558814
where:
bonds (distance) C4'-P energy: -72.031
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -80.431
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -92.320
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1259.514626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.514626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.314626 (E_RNA)
where:
Base-Base interactions energy: -735.002
where: short stacking energy: -287.419
Base-Backbone interact. energy: -0.537
local terms energy: -309.776062
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -63.002
flat angles C4'-P-C4' energy: -72.667
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -61.844
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1222.875777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.875777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.475777 (E_RNA)
where:
Base-Base interactions energy: -699.743
where: short stacking energy: -274.170
Base-Backbone interact. energy: -0.710
local terms energy: -328.022547
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -51.269
tors. eta vs tors. theta energy: -70.082
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1145.623563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.623563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.623563 (E_RNA)
where:
Base-Base interactions energy: -660.839
where: short stacking energy: -260.952
Base-Backbone interact. energy: -1.267
local terms energy: -285.517627
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -61.100
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -66.631
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1121.280865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.280865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.680865 (E_RNA)
where:
Base-Base interactions energy: -632.778
where: short stacking energy: -262.456
Base-Backbone interact. energy: -1.206
local terms energy: -285.696854
where:
bonds (distance) C4'-P energy: -66.209
bonds (distance) P-C4' energy: -51.753
flat angles C4'-P-C4' energy: -64.791
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -67.833
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -992.804741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.804741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.604741 (E_RNA)
where:
Base-Base interactions energy: -533.890
where: short stacking energy: -231.197
Base-Backbone interact. energy: 0.740
local terms energy: -290.454523
where:
bonds (distance) C4'-P energy: -67.943
bonds (distance) P-C4' energy: -66.194
flat angles C4'-P-C4' energy: -66.864
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -48.300
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -964.261939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.261939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.861939 (E_RNA)
where:
Base-Base interactions energy: -559.931
where: short stacking energy: -244.957
Base-Backbone interact. energy: 2.943
local terms energy: -248.873844
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -55.953
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1458.123204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.123204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.123204 (E_RNA)
where:
Base-Base interactions energy: -865.890
where: short stacking energy: -347.607
Base-Backbone interact. energy: -2.079
local terms energy: -374.154162
where:
bonds (distance) C4'-P energy: -74.250
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -52.612
tors. eta vs tors. theta energy: -91.137
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1444.715133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.715133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.315133 (E_RNA)
where:
Base-Base interactions energy: -889.715
where: short stacking energy: -365.276
Base-Backbone interact. energy: 0.871
local terms energy: -352.471499
where:
bonds (distance) C4'-P energy: -63.963
bonds (distance) P-C4' energy: -80.817
flat angles C4'-P-C4' energy: -77.820
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -87.054
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1372.342613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.342613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.942613 (E_RNA)
where:
Base-Base interactions energy: -809.454
where: short stacking energy: -300.607
Base-Backbone interact. energy: 0.038
local terms energy: -350.525781
where:
bonds (distance) C4'-P energy: -62.559
bonds (distance) P-C4' energy: -71.823
flat angles C4'-P-C4' energy: -76.903
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -86.604
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1325.908427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.908427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.908427 (E_RNA)
where:
Base-Base interactions energy: -789.537
where: short stacking energy: -317.272
Base-Backbone interact. energy: -2.357
local terms energy: -336.015154
where:
bonds (distance) C4'-P energy: -69.211
bonds (distance) P-C4' energy: -69.014
flat angles C4'-P-C4' energy: -75.638
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1285.771969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.771969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.971969 (E_RNA)
where:
Base-Base interactions energy: -737.375
where: short stacking energy: -304.041
Base-Backbone interact. energy: -1.600
local terms energy: -328.996604
where:
bonds (distance) C4'-P energy: -69.844
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -78.642
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -76.348
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1202.434943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.434943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.834943 (E_RNA)
where:
Base-Base interactions energy: -685.688
where: short stacking energy: -268.848
Base-Backbone interact. energy: -3.762
local terms energy: -311.384586
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -64.980
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -75.407
Dist. restrs. and SS energy: -201.600 (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: 191
Temperature: 1.200000
Total energy: -1158.456844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.456844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.656844 (E_RNA)
where:
Base-Base interactions energy: -664.405
where: short stacking energy: -258.064
Base-Backbone interact. energy: -0.397
local terms energy: -293.854979
where:
bonds (distance) C4'-P energy: -63.078
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -50.280
tors. eta vs tors. theta energy: -56.939
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1172.412538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.412538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.212538 (E_RNA)
where:
Base-Base interactions energy: -650.002
where: short stacking energy: -255.469
Base-Backbone interact. energy: 0.849
local terms energy: -300.059460
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -67.144
flat angles P-C4'-P energy: -42.579
tors. eta vs tors. theta energy: -62.382
Dist. restrs. and SS energy: -223.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1007.233719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.233719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.233719 (E_RNA)
where:
Base-Base interactions energy: -568.101
where: short stacking energy: -235.795
Base-Backbone interact. energy: -1.846
local terms energy: -266.286613
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -66.512
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -45.547
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -929.576763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.576763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.776763 (E_RNA)
where:
Base-Base interactions energy: -518.901
where: short stacking energy: -225.136
Base-Backbone interact. energy: 1.698
local terms energy: -248.573189
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -49.688
tors. eta vs tors. theta energy: -41.697
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1447.465813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.465813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.865813 (E_RNA)
where:
Base-Base interactions energy: -872.105
where: short stacking energy: -356.213
Base-Backbone interact. energy: -2.598
local terms energy: -371.162391
where:
bonds (distance) C4'-P energy: -67.279
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -76.059
flat angles P-C4'-P energy: -60.913
tors. eta vs tors. theta energy: -91.733
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1405.196785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.196785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.996785 (E_RNA)
where:
Base-Base interactions energy: -845.944
where: short stacking energy: -342.013
Base-Backbone interact. energy: -0.987
local terms energy: -344.065303
where:
bonds (distance) C4'-P energy: -66.748
bonds (distance) P-C4' energy: -76.587
flat angles C4'-P-C4' energy: -70.851
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -83.118
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1398.215424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.215424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.615424 (E_RNA)
where:
Base-Base interactions energy: -835.878
where: short stacking energy: -329.803
Base-Backbone interact. energy: -1.671
local terms energy: -350.066684
where:
bonds (distance) C4'-P energy: -69.029
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -81.692
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -87.782
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1331.395686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.395686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.595686 (E_RNA)
where:
Base-Base interactions energy: -774.105
where: short stacking energy: -336.846
Base-Backbone interact. energy: 0.462
local terms energy: -357.952677
where:
bonds (distance) C4'-P energy: -63.602
bonds (distance) P-C4' energy: -70.361
flat angles C4'-P-C4' energy: -82.044
flat angles P-C4'-P energy: -45.314
tors. eta vs tors. theta energy: -96.631
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1274.459327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.459327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.659327 (E_RNA)
where:
Base-Base interactions energy: -729.307
where: short stacking energy: -302.943
Base-Backbone interact. energy: -0.100
local terms energy: -327.252198
where:
bonds (distance) C4'-P energy: -72.295
bonds (distance) P-C4' energy: -61.208
flat angles C4'-P-C4' energy: -70.779
flat angles P-C4'-P energy: -47.808
tors. eta vs tors. theta energy: -75.161
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1189.912000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.912000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.912000 (E_RNA)
where:
Base-Base interactions energy: -692.750
where: short stacking energy: -286.490
Base-Backbone interact. energy: -0.902
local terms energy: -298.259425
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -60.263
flat angles C4'-P-C4' energy: -75.466
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -69.454
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1153.486541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.486541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.086541 (E_RNA)
where:
Base-Base interactions energy: -657.131
where: short stacking energy: -264.801
Base-Backbone interact. energy: 1.825
local terms energy: -303.780768
where:
bonds (distance) C4'-P energy: -56.938
bonds (distance) P-C4' energy: -73.190
flat angles C4'-P-C4' energy: -66.772
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -73.738
Dist. restrs. and SS energy: -194.400 (S_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: 192
Temperature: 1.250000
Total energy: -1131.294146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.294146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.894146 (E_RNA)
where:
Base-Base interactions energy: -646.567
where: short stacking energy: -240.856
Base-Backbone interact. energy: 0.364
local terms energy: -272.691756
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -60.975
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -985.263004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.263004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.063004 (E_RNA)
where:
Base-Base interactions energy: -555.557
where: short stacking energy: -241.509
Base-Backbone interact. energy: 0.537
local terms energy: -261.042912
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -51.996
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -958.369739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.369739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.969739 (E_RNA)
where:
Base-Base interactions energy: -558.950
where: short stacking energy: -235.519
Base-Backbone interact. energy: 5.507
local terms energy: -246.527100
where:
bonds (distance) C4'-P energy: -44.129
bonds (distance) P-C4' energy: -59.529
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1435.750832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.750832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.350832 (E_RNA)
where:
Base-Base interactions energy: -850.966
where: short stacking energy: -349.514
Base-Backbone interact. energy: -1.472
local terms energy: -379.912111
where:
bonds (distance) C4'-P energy: -79.552
bonds (distance) P-C4' energy: -67.586
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -61.529
tors. eta vs tors. theta energy: -92.946
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1426.558235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.558235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.558235 (E_RNA)
where:
Base-Base interactions energy: -856.081
where: short stacking energy: -344.325
Base-Backbone interact. energy: -1.660
local terms energy: -352.817121
where:
bonds (distance) C4'-P energy: -74.884
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -79.548
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -84.593
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1380.157722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.157722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.557722 (E_RNA)
where:
Base-Base interactions energy: -816.175
where: short stacking energy: -321.522
Base-Backbone interact. energy: -1.008
local terms energy: -352.374957
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: -87.352
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1301.162124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.162124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.962124 (E_RNA)
where:
Base-Base interactions energy: -741.393
where: short stacking energy: -306.544
Base-Backbone interact. energy: 1.149
local terms energy: -346.718020
where:
bonds (distance) C4'-P energy: -67.511
bonds (distance) P-C4' energy: -73.054
flat angles C4'-P-C4' energy: -73.638
flat angles P-C4'-P energy: -44.007
tors. eta vs tors. theta energy: -88.508
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1324.240347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.240347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.240347 (E_RNA)
where:
Base-Base interactions energy: -772.037
where: short stacking energy: -301.913
Base-Backbone interact. energy: 0.833
local terms energy: -355.036298
where:
bonds (distance) C4'-P energy: -66.518
bonds (distance) P-C4' energy: -74.608
flat angles C4'-P-C4' energy: -64.893
flat angles P-C4'-P energy: -59.397
tors. eta vs tors. theta energy: -89.621
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1175.961882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.961882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.361882 (E_RNA)
where:
Base-Base interactions energy: -709.529
where: short stacking energy: -279.356
Base-Backbone interact. energy: 2.620
local terms energy: -267.453446
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -71.598
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -55.558
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1176.193105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.193105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.993105 (E_RNA)
where:
Base-Base interactions energy: -662.285
where: short stacking energy: -264.350
Base-Backbone interact. energy: -1.404
local terms energy: -316.304614
where:
bonds (distance) C4'-P energy: -63.702
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -71.386
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -67.119
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1116.028437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.028437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.028437 (E_RNA)
where:
Base-Base interactions energy: -638.871
where: short stacking energy: -255.747
Base-Backbone interact. energy: 1.351
local terms energy: -280.507959
where:
bonds (distance) C4'-P energy: -45.430
bonds (distance) P-C4' energy: -67.024
flat angles C4'-P-C4' energy: -67.807
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -57.103
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -995.147092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.147092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.147092 (E_RNA)
where:
Base-Base interactions energy: -547.985
where: short stacking energy: -232.428
Base-Backbone interact. energy: -0.391
local terms energy: -275.770898
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -59.054
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -46.324
tors. eta vs tors. theta energy: -56.925
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -898.869690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.869690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.869690 (E_RNA)
where:
Base-Base interactions energy: -488.280
where: short stacking energy: -205.719
Base-Backbone interact. energy: -0.693
local terms energy: -247.896446
where:
bonds (distance) C4'-P energy: -58.501
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -37.438
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1455.625590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.625590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.825590 (E_RNA)
where:
Base-Base interactions energy: -879.835
where: short stacking energy: -350.600
Base-Backbone interact. energy: -0.929
local terms energy: -375.061594
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -71.023
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -94.642
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1409.101264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.101264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.101264 (E_RNA)
where:
Base-Base interactions energy: -818.943
where: short stacking energy: -316.824
Base-Backbone interact. energy: -0.927
local terms energy: -373.231788
where:
bonds (distance) C4'-P energy: -68.401
bonds (distance) P-C4' energy: -77.878
flat angles C4'-P-C4' energy: -80.467
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -90.037
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1388.244642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.244642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.044642 (E_RNA)
where:
Base-Base interactions energy: -802.983
where: short stacking energy: -335.332
Base-Backbone interact. energy: -1.834
local terms energy: -369.227711
where:
bonds (distance) C4'-P energy: -71.071
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -78.269
flat angles P-C4'-P energy: -57.758
tors. eta vs tors. theta energy: -86.850
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1318.350516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.350516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.150516 (E_RNA)
where:
Base-Base interactions energy: -740.493
where: short stacking energy: -320.684
Base-Backbone interact. energy: -0.136
local terms energy: -363.521733
where:
bonds (distance) C4'-P energy: -74.697
bonds (distance) P-C4' energy: -80.621
flat angles C4'-P-C4' energy: -72.687
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -88.740
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1255.737956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.737956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.737956 (E_RNA)
where:
Base-Base interactions energy: -722.861
where: short stacking energy: -293.410
Base-Backbone interact. energy: -1.950
local terms energy: -332.926176
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -82.099
flat angles C4'-P-C4' energy: -75.344
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -76.170
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1180.066111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.066111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.066111 (E_RNA)
where:
Base-Base interactions energy: -674.300
where: short stacking energy: -268.220
Base-Backbone interact. energy: 2.240
local terms energy: -310.006467
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -61.866
flat angles C4'-P-C4' energy: -76.160
flat angles P-C4'-P energy: -51.795
tors. eta vs tors. theta energy: -59.064
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1175.539066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.539066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.539066 (E_RNA)
where:
Base-Base interactions energy: -679.621
where: short stacking energy: -275.488
Base-Backbone interact. energy: -3.957
local terms energy: -293.960603
where:
bonds (distance) C4'-P energy: -63.114
bonds (distance) P-C4' energy: -64.519
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -47.586
tors. eta vs tors. theta energy: -59.335
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1134.182701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.182701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.982701 (E_RNA)
where:
Base-Base interactions energy: -622.891
where: short stacking energy: -227.912
Base-Backbone interact. energy: -2.032
local terms energy: -295.059464
where:
bonds (distance) C4'-P energy: -56.207
bonds (distance) P-C4' energy: -74.088
flat angles C4'-P-C4' energy: -68.678
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -56.658
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -950.473038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.473038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.273038 (E_RNA)
where:
Base-Base interactions energy: -516.880
where: short stacking energy: -210.233
Base-Backbone interact. energy: 1.069
local terms energy: -265.462052
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -37.278
tors. eta vs tors. theta energy: -52.224
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -933.617706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.617706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.417706 (E_RNA)
where:
Base-Base interactions energy: -541.499
where: short stacking energy: -225.091
Base-Backbone interact. energy: 0.228
local terms energy: -232.146554
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -53.871
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1426.647942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.647942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.447942 (E_RNA)
where:
Base-Base interactions energy: -839.246
where: short stacking energy: -334.599
Base-Backbone interact. energy: -3.548
local terms energy: -378.654459
where:
bonds (distance) C4'-P energy: -79.723
bonds (distance) P-C4' energy: -71.301
flat angles C4'-P-C4' energy: -79.647
flat angles P-C4'-P energy: -55.502
tors. eta vs tors. theta energy: -92.482
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1419.413495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.413495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.213495 (E_RNA)
where:
Base-Base interactions energy: -848.628
where: short stacking energy: -330.523
Base-Backbone interact. energy: 1.029
local terms energy: -357.614182
where:
bonds (distance) C4'-P energy: -70.838
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -79.854
flat angles P-C4'-P energy: -49.041
tors. eta vs tors. theta energy: -85.171
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1356.664004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.664004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.464004 (E_RNA)
where:
Base-Base interactions energy: -782.617
where: short stacking energy: -318.093
Base-Backbone interact. energy: -0.150
local terms energy: -359.696217
where:
bonds (distance) C4'-P energy: -74.342
bonds (distance) P-C4' energy: -72.390
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -52.298
tors. eta vs tors. theta energy: -92.820
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1312.237268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.237268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.237268 (E_RNA)
where:
Base-Base interactions energy: -759.823
where: short stacking energy: -315.819
Base-Backbone interact. energy: -1.179
local terms energy: -335.234718
where:
bonds (distance) C4'-P energy: -71.482
bonds (distance) P-C4' energy: -70.780
flat angles C4'-P-C4' energy: -71.939
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -76.063
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1268.557884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.557884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.557884 (E_RNA)
where:
Base-Base interactions energy: -745.884
where: short stacking energy: -275.215
Base-Backbone interact. energy: -2.962
local terms energy: -321.712406
where:
bonds (distance) C4'-P energy: -53.072
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -80.354
flat angles P-C4'-P energy: -53.557
tors. eta vs tors. theta energy: -76.270
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1171.177615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.177615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.177615 (E_RNA)
where:
Base-Base interactions energy: -661.842
where: short stacking energy: -262.458
Base-Backbone interact. energy: 0.183
local terms energy: -311.519055
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -69.892
flat angles C4'-P-C4' energy: -67.419
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -65.165
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1156.391367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.391367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.991367 (E_RNA)
where:
Base-Base interactions energy: -682.843
where: short stacking energy: -265.343
Base-Backbone interact. energy: -1.495
local terms energy: -277.653798
where:
bonds (distance) C4'-P energy: -54.054
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -60.869
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -57.367
Dist. restrs. and SS energy: -194.400 (S_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: 195
Temperature: 1.250000
Total energy: -1167.014691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.014691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.814691 (E_RNA)
where:
Base-Base interactions energy: -646.724
where: short stacking energy: -251.514
Base-Backbone interact. energy: 1.342
local terms energy: -316.432993
where:
bonds (distance) C4'-P energy: -65.465
bonds (distance) P-C4' energy: -70.501
flat angles C4'-P-C4' energy: -76.679
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -64.296
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1054.878724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.878724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.078724 (E_RNA)
where:
Base-Base interactions energy: -587.147
where: short stacking energy: -251.605
Base-Backbone interact. energy: -0.904
local terms energy: -285.027662
where:
bonds (distance) C4'-P energy: -65.873
bonds (distance) P-C4' energy: -60.084
flat angles C4'-P-C4' energy: -68.530
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -56.354
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -895.273550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.273550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.473550 (E_RNA)
where:
Base-Base interactions energy: -509.952
where: short stacking energy: -189.282
Base-Backbone interact. energy: -1.199
local terms energy: -229.322276
where:
bonds (distance) C4'-P energy: -43.693
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -65.972
flat angles P-C4'-P energy: -32.824
tors. eta vs tors. theta energy: -29.631
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1454.561777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.561777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.161777 (E_RNA)
where:
Base-Base interactions energy: -874.922
where: short stacking energy: -362.537
Base-Backbone interact. energy: -2.661
local terms energy: -373.578367
where:
bonds (distance) C4'-P energy: -72.869
bonds (distance) P-C4' energy: -68.626
flat angles C4'-P-C4' energy: -84.040
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -100.625
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1426.609441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.609441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.209441 (E_RNA)
where:
Base-Base interactions energy: -831.032
where: short stacking energy: -335.302
Base-Backbone interact. energy: 0.355
local terms energy: -383.532405
where:
bonds (distance) C4'-P energy: -79.581
bonds (distance) P-C4' energy: -77.170
flat angles C4'-P-C4' energy: -83.954
flat angles P-C4'-P energy: -54.143
tors. eta vs tors. theta energy: -88.684
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1377.351024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.351024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.351024 (E_RNA)
where:
Base-Base interactions energy: -794.328
where: short stacking energy: -320.643
Base-Backbone interact. energy: -1.899
local terms energy: -365.123663
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -75.473
flat angles C4'-P-C4' energy: -78.072
flat angles P-C4'-P energy: -50.742
tors. eta vs tors. theta energy: -85.412
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1302.851064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.851064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.651064 (E_RNA)
where:
Base-Base interactions energy: -746.430
where: short stacking energy: -289.750
Base-Backbone interact. energy: -1.740
local terms energy: -340.481193
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -71.626
flat angles C4'-P-C4' energy: -77.267
flat angles P-C4'-P energy: -51.561
tors. eta vs tors. theta energy: -66.587
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1255.738721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.738721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.738721 (E_RNA)
where:
Base-Base interactions energy: -729.885
where: short stacking energy: -288.393
Base-Backbone interact. energy: -1.794
local terms energy: -326.059446
where:
bonds (distance) C4'-P energy: -65.069
bonds (distance) P-C4' energy: -73.148
flat angles C4'-P-C4' energy: -66.092
flat angles P-C4'-P energy: -51.883
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1179.153895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.153895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.553895 (E_RNA)
where:
Base-Base interactions energy: -675.212
where: short stacking energy: -283.831
Base-Backbone interact. energy: 0.697
local terms energy: -303.038620
where:
bonds (distance) C4'-P energy: -71.028
bonds (distance) P-C4' energy: -72.862
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -65.535
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1160.084274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.084274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.484274 (E_RNA)
where:
Base-Base interactions energy: -664.349
where: short stacking energy: -266.927
Base-Backbone interact. energy: -0.938
local terms energy: -284.197372
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -76.435
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: -67.558
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1121.446007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.446007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.846007 (E_RNA)
where:
Base-Base interactions energy: -624.366
where: short stacking energy: -255.602
Base-Backbone interact. energy: -1.539
local terms energy: -293.940716
where:
bonds (distance) C4'-P energy: -56.421
bonds (distance) P-C4' energy: -70.351
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -38.484
tors. eta vs tors. theta energy: -57.554
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1037.615816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.615816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.815816 (E_RNA)
where:
Base-Base interactions energy: -562.974
where: short stacking energy: -235.144
Base-Backbone interact. energy: -1.113
local terms energy: -291.729316
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -66.572
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -46.511
tors. eta vs tors. theta energy: -52.499
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -943.264963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.264963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.264963 (E_RNA)
where:
Base-Base interactions energy: -538.243
where: short stacking energy: -217.552
Base-Backbone interact. energy: -3.121
local terms energy: -239.900695
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -38.971
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1445.327810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.327810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.927810 (E_RNA)
where:
Base-Base interactions energy: -850.090
where: short stacking energy: -337.849
Base-Backbone interact. energy: -1.133
local terms energy: -390.703943
where:
bonds (distance) C4'-P energy: -68.351
bonds (distance) P-C4' energy: -81.219
flat angles C4'-P-C4' energy: -87.948
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: -97.801
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1437.362793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.362793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.162793 (E_RNA)
where:
Base-Base interactions energy: -852.036
where: short stacking energy: -335.842
Base-Backbone interact. energy: -1.800
local terms energy: -369.327364
where:
bonds (distance) C4'-P energy: -73.172
bonds (distance) P-C4' energy: -73.198
flat angles C4'-P-C4' energy: -81.086
flat angles P-C4'-P energy: -54.831
tors. eta vs tors. theta energy: -87.041
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1362.307882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.307882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.907882 (E_RNA)
where:
Base-Base interactions energy: -798.142
where: short stacking energy: -326.156
Base-Backbone interact. energy: -3.400
local terms energy: -348.365589
where:
bonds (distance) C4'-P energy: -76.143
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -56.919
tors. eta vs tors. theta energy: -85.211
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1329.369447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.369447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.569447 (E_RNA)
where:
Base-Base interactions energy: -753.090
where: short stacking energy: -324.974
Base-Backbone interact. energy: -2.557
local terms energy: -355.921954
where:
bonds (distance) C4'-P energy: -69.243
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -74.757
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -90.565
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1296.689038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.689038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.089038 (E_RNA)
where:
Base-Base interactions energy: -739.546
where: short stacking energy: -289.265
Base-Backbone interact. energy: -0.409
local terms energy: -355.133870
where:
bonds (distance) C4'-P energy: -67.001
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -80.249
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -83.030
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1171.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.729727 (E_RNA)
where:
Base-Base interactions energy: -676.005
where: short stacking energy: -269.901
Base-Backbone interact. energy: -2.547
local terms energy: -293.178050
where:
bonds (distance) C4'-P energy: -52.649
bonds (distance) P-C4' energy: -69.277
flat angles C4'-P-C4' energy: -71.834
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -67.371
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1192.543629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.543629 (E_RNA)
where:
Base-Base interactions energy: -689.380
where: short stacking energy: -258.336
Base-Backbone interact. energy: -1.683
local terms energy: -285.480961
where:
bonds (distance) C4'-P energy: -64.227
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -58.179
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1128.628056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.628056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.428056 (E_RNA)
where:
Base-Base interactions energy: -649.619
where: short stacking energy: -261.579
Base-Backbone interact. energy: -0.085
local terms energy: -282.724593
where:
bonds (distance) C4'-P energy: -67.086
bonds (distance) P-C4' energy: -51.946
flat angles C4'-P-C4' energy: -57.633
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -984.573408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.573408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.573408 (E_RNA)
where:
Base-Base interactions energy: -546.316
where: short stacking energy: -222.024
Base-Backbone interact. energy: -1.913
local terms energy: -256.345016
where:
bonds (distance) C4'-P energy: -47.477
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -939.637610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.637610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.237610 (E_RNA)
where:
Base-Base interactions energy: -529.941
where: short stacking energy: -216.592
Base-Backbone interact. energy: -0.659
local terms energy: -250.637844
where:
bonds (distance) C4'-P energy: -50.203
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -68.307
flat angles P-C4'-P energy: -27.339
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1429.329080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.329080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.329080 (E_RNA)
where:
Base-Base interactions energy: -840.069
where: short stacking energy: -348.767
Base-Backbone interact. energy: -3.832
local terms energy: -369.427391
where:
bonds (distance) C4'-P energy: -74.853
bonds (distance) P-C4' energy: -71.276
flat angles C4'-P-C4' energy: -80.755
flat angles P-C4'-P energy: -56.312
tors. eta vs tors. theta energy: -86.230
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1410.132965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.132965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.532965 (E_RNA)
where:
Base-Base interactions energy: -830.418
where: short stacking energy: -331.204
Base-Backbone interact. energy: -0.437
local terms energy: -377.677198
where:
bonds (distance) C4'-P energy: -75.384
bonds (distance) P-C4' energy: -80.668
flat angles C4'-P-C4' energy: -73.790
flat angles P-C4'-P energy: -56.912
tors. eta vs tors. theta energy: -90.923
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1324.739399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.739399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.339399 (E_RNA)
where:
Base-Base interactions energy: -757.486
where: short stacking energy: -305.254
Base-Backbone interact. energy: 0.947
local terms energy: -355.800510
where:
bonds (distance) C4'-P energy: -73.551
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -81.151
flat angles P-C4'-P energy: -50.836
tors. eta vs tors. theta energy: -82.212
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1314.079094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.079094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.679094 (E_RNA)
where:
Base-Base interactions energy: -777.511
where: short stacking energy: -336.089
Base-Backbone interact. energy: -1.472
local terms energy: -331.695529
where:
bonds (distance) C4'-P energy: -60.188
bonds (distance) P-C4' energy: -67.921
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -47.448
tors. eta vs tors. theta energy: -87.699
Dist. restrs. and SS energy: -203.400 (S_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: 198
Temperature: 1.100000
Total energy: -1283.628737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.628737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.828737 (E_RNA)
where:
Base-Base interactions energy: -749.323
where: short stacking energy: -302.424
Base-Backbone interact. energy: 0.700
local terms energy: -335.205436
where:
bonds (distance) C4'-P energy: -61.709
bonds (distance) P-C4' energy: -68.366
flat angles C4'-P-C4' energy: -74.914
flat angles P-C4'-P energy: -49.412
tors. eta vs tors. theta energy: -80.804
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1209.827562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.827562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.827562 (E_RNA)
where:
Base-Base interactions energy: -702.982
where: short stacking energy: -281.647
Base-Backbone interact. energy: -1.334
local terms energy: -307.511384
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -63.467
flat angles C4'-P-C4' energy: -65.802
flat angles P-C4'-P energy: -49.398
tors. eta vs tors. theta energy: -69.793
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1167.515347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.515347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.115347 (E_RNA)
where:
Base-Base interactions energy: -664.539
where: short stacking energy: -269.289
Base-Backbone interact. energy: -2.224
local terms energy: -306.352385
where:
bonds (distance) C4'-P energy: -68.390
bonds (distance) P-C4' energy: -67.656
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -66.775
Dist. restrs. and SS energy: -194.400 (S_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: 198
Temperature: 1.250000
Total energy: -1171.477933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.477933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.077933 (E_RNA)
where:
Base-Base interactions energy: -654.103
where: short stacking energy: -267.963
Base-Backbone interact. energy: 10.632
local terms energy: -315.606786
where:
bonds (distance) C4'-P energy: -61.264
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -46.969
tors. eta vs tors. theta energy: -65.677
Dist. restrs. and SS energy: -212.400 (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: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -951.769069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.769069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.769069 (E_RNA)
where:
Base-Base interactions energy: -554.651
where: short stacking energy: -219.959
Base-Backbone interact. energy: 1.370
local terms energy: -245.487583
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -48.549
flat angles C4'-P-C4' energy: -54.845
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -942.769898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.769898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.569898 (E_RNA)
where:
Base-Base interactions energy: -533.529
where: short stacking energy: -226.719
Base-Backbone interact. energy: 0.157
local terms energy: -249.198579
where:
bonds (distance) C4'-P energy: -54.890
bonds (distance) P-C4' energy: -62.503
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -46.275
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1418.735303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.735303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.335303 (E_RNA)
where:
Base-Base interactions energy: -866.200
where: short stacking energy: -337.560
Base-Backbone interact. energy: -2.697
local terms energy: -337.438461
where:
bonds (distance) C4'-P energy: -65.820
bonds (distance) P-C4' energy: -72.685
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -49.777
tors. eta vs tors. theta energy: -74.368
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1432.731606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.731606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.331606 (E_RNA)
where:
Base-Base interactions energy: -865.712
where: short stacking energy: -345.281
Base-Backbone interact. energy: -1.758
local terms energy: -361.861127
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -74.164
flat angles C4'-P-C4' energy: -71.981
flat angles P-C4'-P energy: -53.800
tors. eta vs tors. theta energy: -97.038
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1315.572311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.572311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.772311 (E_RNA)
where:
Base-Base interactions energy: -746.770
where: short stacking energy: -316.295
Base-Backbone interact. energy: -1.026
local terms energy: -349.976158
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -75.242
flat angles C4'-P-C4' energy: -79.527
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1324.430608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.430608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.830608 (E_RNA)
where:
Base-Base interactions energy: -779.228
where: short stacking energy: -322.798
Base-Backbone interact. energy: -0.925
local terms energy: -333.678070
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -70.469
flat angles C4'-P-C4' energy: -77.635
flat angles P-C4'-P energy: -51.864
tors. eta vs tors. theta energy: -84.173
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1262.877293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.877293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.877293 (E_RNA)
where:
Base-Base interactions energy: -727.209
where: short stacking energy: -309.591
Base-Backbone interact. energy: -1.303
local terms energy: -336.365314
where:
bonds (distance) C4'-P energy: -80.701
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -73.746
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1194.970677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.970677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.170677 (E_RNA)
where:
Base-Base interactions energy: -677.684
where: short stacking energy: -278.988
Base-Backbone interact. energy: -2.388
local terms energy: -315.098449
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -67.604
flat angles C4'-P-C4' energy: -68.637
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -66.470
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1151.119685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.119685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.719685 (E_RNA)
where:
Base-Base interactions energy: -632.664
where: short stacking energy: -262.773
Base-Backbone interact. energy: 0.492
local terms energy: -324.548330
where:
bonds (distance) C4'-P energy: -63.049
bonds (distance) P-C4' energy: -74.196
flat angles C4'-P-C4' energy: -68.855
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -66.010
Dist. restrs. and SS energy: -194.400 (S_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: 199
Temperature: 1.250000
Total energy: -1103.409070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.409070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.009070 (E_RNA)
where:
Base-Base interactions energy: -623.883
where: short stacking energy: -239.679
Base-Backbone interact. energy: -0.941
local terms energy: -266.185023
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -66.055
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: -55.773
Dist. restrs. and SS energy: -212.400 (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: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -938.884886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.884886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.884886 (E_RNA)
where:
Base-Base interactions energy: -525.672
where: short stacking energy: -203.618
Base-Backbone interact. energy: 6.906
local terms energy: -258.118534
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -64.434
flat angles P-C4'-P energy: -36.068
tors. eta vs tors. theta energy: -46.956
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -968.695936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.695936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.695936 (E_RNA)
where:
Base-Base interactions energy: -530.734
where: short stacking energy: -227.985
Base-Backbone interact. energy: -1.291
local terms energy: -265.671066
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -54.095
flat angles C4'-P-C4' energy: -66.730
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: -55.480
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1443.255356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.255356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.855356 (E_RNA)
where:
Base-Base interactions energy: -861.609
where: short stacking energy: -362.589
Base-Backbone interact. energy: -5.084
local terms energy: -364.162113
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -71.733
flat angles C4'-P-C4' energy: -80.152
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -94.616
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1413.433083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.433083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.033083 (E_RNA)
where:
Base-Base interactions energy: -850.384
where: short stacking energy: -327.235
Base-Backbone interact. energy: 0.057
local terms energy: -359.706804
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -74.897
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -93.919
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1379.124068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.124068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.524068 (E_RNA)
where:
Base-Base interactions energy: -787.965
where: short stacking energy: -344.605
Base-Backbone interact. energy: -0.737
local terms energy: -379.821877
where:
bonds (distance) C4'-P energy: -71.597
bonds (distance) P-C4' energy: -70.737
flat angles C4'-P-C4' energy: -87.713
flat angles P-C4'-P energy: -56.745
tors. eta vs tors. theta energy: -93.030
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1332.724343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.724343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.724343 (E_RNA)
where:
Base-Base interactions energy: -749.166
where: short stacking energy: -319.193
Base-Backbone interact. energy: -0.280
local terms energy: -367.278299
where:
bonds (distance) C4'-P energy: -69.038
bonds (distance) P-C4' energy: -74.369
flat angles C4'-P-C4' energy: -85.883
flat angles P-C4'-P energy: -51.919
tors. eta vs tors. theta energy: -86.069
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1260.477826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.477826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.277826 (E_RNA)
where:
Base-Base interactions energy: -746.185
where: short stacking energy: -276.020
Base-Backbone interact. energy: -2.704
local terms energy: -315.389069
where:
bonds (distance) C4'-P energy: -62.035
bonds (distance) P-C4' energy: -75.216
flat angles C4'-P-C4' energy: -77.712
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -67.665
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1223.952495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.952495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.952495 (E_RNA)
where:
Base-Base interactions energy: -697.342
where: short stacking energy: -309.768
Base-Backbone interact. energy: -0.470
local terms energy: -328.140297
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -77.237
flat angles P-C4'-P energy: -42.556
tors. eta vs tors. theta energy: -83.007
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1155.504117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.504117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.304117 (E_RNA)
where:
Base-Base interactions energy: -661.597
where: short stacking energy: -263.307
Base-Backbone interact. energy: -2.972
local terms energy: -294.734582
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -57.197
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1100.454130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.454130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.654130 (E_RNA)
where:
Base-Base interactions energy: -627.598
where: short stacking energy: -251.029
Base-Backbone interact. energy: 1.542
local terms energy: -265.598059
where:
bonds (distance) C4'-P energy: -65.276
bonds (distance) P-C4' energy: -49.723
flat angles C4'-P-C4' energy: -75.359
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -39.876
Dist. restrs. and SS energy: -208.800 (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: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1041.437948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.437948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.837948 (E_RNA)
where:
Base-Base interactions energy: -546.802
where: short stacking energy: -232.847
Base-Backbone interact. energy: -0.259
local terms energy: -310.777789
where:
bonds (distance) C4'-P energy: -66.187
bonds (distance) P-C4' energy: -73.119
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -47.272
tors. eta vs tors. theta energy: -54.365
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -922.154492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.154492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.154492 (E_RNA)
where:
Base-Base interactions energy: -515.028
where: short stacking energy: -205.193
Base-Backbone interact. energy: 1.095
local terms energy: -246.221121
where:
bonds (distance) C4'-P energy: -60.744
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -32.323
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1438.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.178269 (E_RNA)
where:
Base-Base interactions energy: -848.334
where: short stacking energy: -340.603
Base-Backbone interact. energy: -1.473
local terms energy: -372.371338
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -80.463
flat angles C4'-P-C4' energy: -74.752
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -94.445
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1403.513910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.513910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.513910 (E_RNA)
where:
Base-Base interactions energy: -841.722
where: short stacking energy: -335.142
Base-Backbone interact. energy: -1.431
local terms energy: -353.360814
where:
bonds (distance) C4'-P energy: -74.004
bonds (distance) P-C4' energy: -68.971
flat angles C4'-P-C4' energy: -75.052
flat angles P-C4'-P energy: -47.530
tors. eta vs tors. theta energy: -87.804
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1355.186034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.186034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.986034 (E_RNA)
where:
Base-Base interactions energy: -789.235
where: short stacking energy: -336.682
Base-Backbone interact. energy: -1.072
local terms energy: -359.678541
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -69.703
flat angles C4'-P-C4' energy: -85.371
flat angles P-C4'-P energy: -47.795
tors. eta vs tors. theta energy: -99.082
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1303.581649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.581649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.981649 (E_RNA)
where:
Base-Base interactions energy: -753.478
where: short stacking energy: -320.610
Base-Backbone interact. energy: -1.073
local terms energy: -338.431082
where:
bonds (distance) C4'-P energy: -64.592
bonds (distance) P-C4' energy: -66.845
flat angles C4'-P-C4' energy: -73.977
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1284.865489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.865489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.265489 (E_RNA)
where:
Base-Base interactions energy: -762.601
where: short stacking energy: -306.484
Base-Backbone interact. energy: -0.898
local terms energy: -319.765735
where:
bonds (distance) C4'-P energy: -61.494
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -71.091
flat angles P-C4'-P energy: -51.043
tors. eta vs tors. theta energy: -79.621
Dist. restrs. and SS energy: -201.600 (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: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1184.151540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.151540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.351540 (E_RNA)
where:
Base-Base interactions energy: -679.293
where: short stacking energy: -274.909
Base-Backbone interact. energy: 3.129
local terms energy: -308.188271
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -69.589
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -67.415
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1180.471933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.471933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.471933 (E_RNA)
where:
Base-Base interactions energy: -671.574
where: short stacking energy: -282.708
Base-Backbone interact. energy: -0.848
local terms energy: -310.050504
where:
bonds (distance) C4'-P energy: -54.618
bonds (distance) P-C4' energy: -65.539
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -80.223
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1124.807570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.807570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.407570 (E_RNA)
where:
Base-Base interactions energy: -650.904
where: short stacking energy: -255.424
Base-Backbone interact. energy: 1.476
local terms energy: -271.980085
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -48.728
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -55.364
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1011.593883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.593883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.593883 (E_RNA)
where:
Base-Base interactions energy: -575.311
where: short stacking energy: -240.893
Base-Backbone interact. energy: 0.326
local terms energy: -256.608891
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -36.894
tors. eta vs tors. theta energy: -51.618
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -922.673159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.673159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.273159 (E_RNA)
where:
Base-Base interactions energy: -523.596
where: short stacking energy: -214.300
Base-Backbone interact. energy: 1.476
local terms energy: -242.153577
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -48.191
flat angles C4'-P-C4' energy: -70.490
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1427.432238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.432238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.232238 (E_RNA)
where:
Base-Base interactions energy: -845.029
where: short stacking energy: -327.844
Base-Backbone interact. energy: -3.565
local terms energy: -364.638252
where:
bonds (distance) C4'-P energy: -77.139
bonds (distance) P-C4' energy: -71.963
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -56.405
tors. eta vs tors. theta energy: -86.591
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1394.953454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.953454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.553454 (E_RNA)
where:
Base-Base interactions energy: -848.347
where: short stacking energy: -358.023
Base-Backbone interact. energy: -2.319
local terms energy: -349.887041
where:
bonds (distance) C4'-P energy: -66.463
bonds (distance) P-C4' energy: -70.394
flat angles C4'-P-C4' energy: -78.759
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -92.782
Dist. restrs. and SS energy: -194.400 (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: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1358.433804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.433804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.233804 (E_RNA)
where:
Base-Base interactions energy: -778.834
where: short stacking energy: -346.291
Base-Backbone interact. energy: -0.872
local terms energy: -364.527307
where:
bonds (distance) C4'-P energy: -81.877
bonds (distance) P-C4' energy: -66.609
flat angles C4'-P-C4' energy: -75.621
flat angles P-C4'-P energy: -49.959
tors. eta vs tors. theta energy: -90.461
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1300.088402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.088402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.288402 (E_RNA)
where:
Base-Base interactions energy: -759.329
where: short stacking energy: -297.315
Base-Backbone interact. energy: -1.168
local terms energy: -321.791163
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -71.254
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -75.128
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1283.436309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.436309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.436309 (E_RNA)
where:
Base-Base interactions energy: -765.694
where: short stacking energy: -295.847
Base-Backbone interact. energy: -1.749
local terms energy: -317.993314
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -73.457
flat angles C4'-P-C4' energy: -71.930
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -72.673
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1182.394373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.394373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.594373 (E_RNA)
where:
Base-Base interactions energy: -686.231
where: short stacking energy: -277.325
Base-Backbone interact. energy: 0.398
local terms energy: -296.761381
where:
bonds (distance) C4'-P energy: -57.724
bonds (distance) P-C4' energy: -61.623
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1170.697437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.697437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.297437 (E_RNA)
where:
Base-Base interactions energy: -643.449
where: short stacking energy: -260.953
Base-Backbone interact. energy: -1.439
local terms energy: -322.410228
where:
bonds (distance) C4'-P energy: -70.831
bonds (distance) P-C4' energy: -68.097
flat angles C4'-P-C4' energy: -72.403
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: -68.878
Dist. restrs. and SS energy: -203.400 (S_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: 202
Temperature: 1.250000
Total energy: -1087.337716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.337716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.937716 (E_RNA)
where:
Base-Base interactions energy: -610.497
where: short stacking energy: -251.939
Base-Backbone interact. energy: -0.903
local terms energy: -272.538457
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -60.643
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -54.844
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -996.209265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.209265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.609265 (E_RNA)
where:
Base-Base interactions energy: -562.500
where: short stacking energy: -220.901
Base-Backbone interact. energy: 1.930
local terms energy: -252.039612
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -73.142
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -30.677
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -943.329180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.329180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.529180 (E_RNA)
where:
Base-Base interactions energy: -546.371
where: short stacking energy: -225.326
Base-Backbone interact. energy: 0.094
local terms energy: -233.251709
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -52.209
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1430.598427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.598427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.398427 (E_RNA)
where:
Base-Base interactions energy: -851.835
where: short stacking energy: -331.966
Base-Backbone interact. energy: -5.245
local terms energy: -359.318646
where:
bonds (distance) C4'-P energy: -67.304
bonds (distance) P-C4' energy: -76.226
flat angles C4'-P-C4' energy: -78.220
flat angles P-C4'-P energy: -47.533
tors. eta vs tors. theta energy: -90.036
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1368.606057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.606057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.406057 (E_RNA)
where:
Base-Base interactions energy: -800.752
where: short stacking energy: -351.140
Base-Backbone interact. energy: 0.160
local terms energy: -353.814278
where:
bonds (distance) C4'-P energy: -61.301
bonds (distance) P-C4' energy: -66.888
flat angles C4'-P-C4' energy: -78.903
flat angles P-C4'-P energy: -51.800
tors. eta vs tors. theta energy: -94.921
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1392.192811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.192811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.792811 (E_RNA)
where:
Base-Base interactions energy: -822.994
where: short stacking energy: -352.733
Base-Backbone interact. energy: -1.435
local terms energy: -364.363888
where:
bonds (distance) C4'-P energy: -76.619
bonds (distance) P-C4' energy: -70.205
flat angles C4'-P-C4' energy: -76.221
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -91.396
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1340.145712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.145712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.745712 (E_RNA)
where:
Base-Base interactions energy: -780.820
where: short stacking energy: -325.054
Base-Backbone interact. energy: -2.787
local terms energy: -344.138664
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -83.516
flat angles P-C4'-P energy: -43.293
tors. eta vs tors. theta energy: -93.329
Dist. restrs. and SS energy: -212.400 (S_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: 203
Temperature: 1.100000
Total energy: -1274.992243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.992243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.992243 (E_RNA)
where:
Base-Base interactions energy: -738.653
where: short stacking energy: -290.090
Base-Backbone interact. energy: -0.031
local terms energy: -338.308200
where:
bonds (distance) C4'-P energy: -67.875
bonds (distance) P-C4' energy: -68.855
flat angles C4'-P-C4' energy: -82.270
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -72.180
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1222.639739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.639739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.039739 (E_RNA)
where:
Base-Base interactions energy: -714.249
where: short stacking energy: -278.413
Base-Backbone interact. energy: -0.750
local terms energy: -297.040132
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -67.625
flat angles C4'-P-C4' energy: -74.360
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -65.578
Dist. restrs. and SS energy: -210.600 (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: 203
Temperature: 1.200000
Total energy: -1194.246176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.246176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.046176 (E_RNA)
where:
Base-Base interactions energy: -689.950
where: short stacking energy: -277.788
Base-Backbone interact. energy: 1.692
local terms energy: -309.788434
where:
bonds (distance) C4'-P energy: -67.190
bonds (distance) P-C4' energy: -65.904
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -70.578
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1076.890842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.890842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.290842 (E_RNA)
where:
Base-Base interactions energy: -585.462
where: short stacking energy: -227.768
Base-Backbone interact. energy: -1.507
local terms energy: -288.321468
where:
bonds (distance) C4'-P energy: -66.986
bonds (distance) P-C4' energy: -77.468
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -44.596
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -982.213238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.213238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.213238 (E_RNA)
where:
Base-Base interactions energy: -528.126
where: short stacking energy: -204.239
Base-Backbone interact. energy: -2.401
local terms energy: -280.685608
where:
bonds (distance) C4'-P energy: -63.908
bonds (distance) P-C4' energy: -69.257
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -43.984
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -946.049529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.049529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.849529 (E_RNA)
where:
Base-Base interactions energy: -541.290
where: short stacking energy: -210.025
Base-Backbone interact. energy: 0.598
local terms energy: -236.157795
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -61.445
flat angles C4'-P-C4' energy: -60.125
flat angles P-C4'-P energy: -35.280
tors. eta vs tors. theta energy: -30.541
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1433.882420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.882420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.882420 (E_RNA)
where:
Base-Base interactions energy: -838.710
where: short stacking energy: -341.722
Base-Backbone interact. energy: -1.721
local terms energy: -377.450779
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -72.056
flat angles C4'-P-C4' energy: -87.105
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: -85.784
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1385.443156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.443156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.243156 (E_RNA)
where:
Base-Base interactions energy: -805.626
where: short stacking energy: -339.684
Base-Backbone interact. energy: -3.809
local terms energy: -361.808512
where:
bonds (distance) C4'-P energy: -65.900
bonds (distance) P-C4' energy: -66.866
flat angles C4'-P-C4' energy: -72.165
flat angles P-C4'-P energy: -56.943
tors. eta vs tors. theta energy: -99.935
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1374.503223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.503223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.103223 (E_RNA)
where:
Base-Base interactions energy: -813.378
where: short stacking energy: -329.381
Base-Backbone interact. energy: -2.199
local terms energy: -355.525993
where:
bonds (distance) C4'-P energy: -72.594
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -70.177
flat angles P-C4'-P energy: -57.334
tors. eta vs tors. theta energy: -89.469
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1338.507364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.507364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.507364 (E_RNA)
where:
Base-Base interactions energy: -777.726
where: short stacking energy: -309.858
Base-Backbone interact. energy: -1.006
local terms energy: -343.775102
where:
bonds (distance) C4'-P energy: -74.939
bonds (distance) P-C4' energy: -73.821
flat angles C4'-P-C4' energy: -69.095
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1256.843609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.843609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.243609 (E_RNA)
where:
Base-Base interactions energy: -735.706
where: short stacking energy: -286.813
Base-Backbone interact. energy: -3.377
local terms energy: -316.160450
where:
bonds (distance) C4'-P energy: -64.794
bonds (distance) P-C4' energy: -62.862
flat angles C4'-P-C4' energy: -73.390
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -69.008
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1209.989567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.989567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.189567 (E_RNA)
where:
Base-Base interactions energy: -691.400
where: short stacking energy: -289.017
Base-Backbone interact. energy: -2.399
local terms energy: -307.391131
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -66.162
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1132.068161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.068161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.868161 (E_RNA)
where:
Base-Base interactions energy: -650.685
where: short stacking energy: -256.945
Base-Backbone interact. energy: -0.788
local terms energy: -275.394322
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -69.927
flat angles C4'-P-C4' energy: -46.527
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -58.867
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1137.441588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.441588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.641588 (E_RNA)
where:
Base-Base interactions energy: -633.516
where: short stacking energy: -256.333
Base-Backbone interact. energy: -1.183
local terms energy: -302.942295
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -57.188
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -46.540
tors. eta vs tors. theta energy: -68.847
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -951.843271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.843271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.043271 (E_RNA)
where:
Base-Base interactions energy: -524.444
where: short stacking energy: -219.025
Base-Backbone interact. energy: -0.245
local terms energy: -263.354142
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -61.903
flat angles C4'-P-C4' energy: -53.315
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -51.915
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -954.074620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.074620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.874620 (E_RNA)
where:
Base-Base interactions energy: -554.161
where: short stacking energy: -224.455
Base-Backbone interact. energy: 1.956
local terms energy: -232.669859
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -60.364
flat angles C4'-P-C4' energy: -42.777
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1442.214780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.214780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.414780 (E_RNA)
where:
Base-Base interactions energy: -858.055
where: short stacking energy: -344.647
Base-Backbone interact. energy: 0.086
local terms energy: -375.446121
where:
bonds (distance) C4'-P energy: -67.363
bonds (distance) P-C4' energy: -76.778
flat angles C4'-P-C4' energy: -82.245
flat angles P-C4'-P energy: -56.832
tors. eta vs tors. theta energy: -92.228
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1398.721525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.721525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.521525 (E_RNA)
where:
Base-Base interactions energy: -804.752
where: short stacking energy: -348.234
Base-Backbone interact. energy: -0.628
local terms energy: -379.141135
where:
bonds (distance) C4'-P energy: -68.875
bonds (distance) P-C4' energy: -77.599
flat angles C4'-P-C4' energy: -72.706
flat angles P-C4'-P energy: -59.460
tors. eta vs tors. theta energy: -100.501
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1387.784089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.784089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.984089 (E_RNA)
where:
Base-Base interactions energy: -823.137
where: short stacking energy: -331.741
Base-Backbone interact. energy: 0.241
local terms energy: -365.088179
where:
bonds (distance) C4'-P energy: -62.903
bonds (distance) P-C4' energy: -77.471
flat angles C4'-P-C4' energy: -75.851
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -99.260
Dist. restrs. and SS energy: -199.800 (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: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1297.384411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.384411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.584411 (E_RNA)
where:
Base-Base interactions energy: -749.889
where: short stacking energy: -293.305
Base-Backbone interact. energy: -1.924
local terms energy: -345.771528
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -67.010
flat angles C4'-P-C4' energy: -74.648
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -89.944
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1284.738182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.738182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.738182 (E_RNA)
where:
Base-Base interactions energy: -742.079
where: short stacking energy: -283.759
Base-Backbone interact. energy: 2.986
local terms energy: -329.645085
where:
bonds (distance) C4'-P energy: -68.674
bonds (distance) P-C4' energy: -62.117
flat angles C4'-P-C4' energy: -68.487
flat angles P-C4'-P energy: -48.306
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1240.753083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.753083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.753083 (E_RNA)
where:
Base-Base interactions energy: -735.905
where: short stacking energy: -290.293
Base-Backbone interact. energy: -2.849
local terms energy: -303.998671
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -77.445
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -71.772
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1090.138385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.138385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.938385 (E_RNA)
where:
Base-Base interactions energy: -605.151
where: short stacking energy: -240.802
Base-Backbone interact. energy: -1.880
local terms energy: -277.906637
where:
bonds (distance) C4'-P energy: -67.219
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -51.224
tors. eta vs tors. theta energy: -37.807
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1111.225850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.225850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.425850 (E_RNA)
where:
Base-Base interactions energy: -628.817
where: short stacking energy: -260.127
Base-Backbone interact. energy: -1.836
local terms energy: -280.772546
where:
bonds (distance) C4'-P energy: -56.610
bonds (distance) P-C4' energy: -65.170
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -53.493
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -974.955163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.955163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.755163 (E_RNA)
where:
Base-Base interactions energy: -543.747
where: short stacking energy: -211.563
Base-Backbone interact. energy: -0.112
local terms energy: -261.895909
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -67.671
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -38.003
tors. eta vs tors. theta energy: -41.548
Dist. restrs. and SS energy: -169.200 (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: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -947.574525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.574525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.374525 (E_RNA)
where:
Base-Base interactions energy: -510.312
where: short stacking energy: -209.583
Base-Backbone interact. energy: -3.622
local terms energy: -264.440054
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -68.422
flat angles C4'-P-C4' energy: -68.622
flat angles P-C4'-P energy: -40.027
tors. eta vs tors. theta energy: -42.106
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1417.476596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.476596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.476596 (E_RNA)
where:
Base-Base interactions energy: -833.926
where: short stacking energy: -347.883
Base-Backbone interact. energy: 1.518
local terms energy: -369.068570
where:
bonds (distance) C4'-P energy: -83.383
bonds (distance) P-C4' energy: -67.340
flat angles C4'-P-C4' energy: -77.128
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -91.560
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1397.697252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.697252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.497252 (E_RNA)
where:
Base-Base interactions energy: -813.916
where: short stacking energy: -347.133
Base-Backbone interact. energy: -0.400
local terms energy: -369.181332
where:
bonds (distance) C4'-P energy: -64.203
bonds (distance) P-C4' energy: -75.666
flat angles C4'-P-C4' energy: -76.869
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -94.835
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1388.596114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.596114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.996114 (E_RNA)
where:
Base-Base interactions energy: -814.449
where: short stacking energy: -349.336
Base-Backbone interact. energy: -2.824
local terms energy: -369.722628
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -72.521
flat angles C4'-P-C4' energy: -86.269
flat angles P-C4'-P energy: -51.477
tors. eta vs tors. theta energy: -98.177
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1315.399806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.399806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.799806 (E_RNA)
where:
Base-Base interactions energy: -788.169
where: short stacking energy: -295.460
Base-Backbone interact. energy: -1.020
local terms energy: -324.611030
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -82.794
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -73.373
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1298.103577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.103577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.503577 (E_RNA)
where:
Base-Base interactions energy: -760.605
where: short stacking energy: -305.582
Base-Backbone interact. energy: -0.044
local terms energy: -326.854106
where:
bonds (distance) C4'-P energy: -67.188
bonds (distance) P-C4' energy: -69.640
flat angles C4'-P-C4' energy: -72.829
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1230.039933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.039933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.639933 (E_RNA)
where:
Base-Base interactions energy: -702.631
where: short stacking energy: -280.163
Base-Backbone interact. energy: 0.459
local terms energy: -324.467863
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -70.928
flat angles C4'-P-C4' energy: -74.314
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -68.231
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1166.975402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.975402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.775402 (E_RNA)
where:
Base-Base interactions energy: -663.162
where: short stacking energy: -268.827
Base-Backbone interact. energy: -2.146
local terms energy: -305.467470
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -60.007
flat angles C4'-P-C4' energy: -75.128
flat angles P-C4'-P energy: -54.551
tors. eta vs tors. theta energy: -58.982
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1026.229883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.229883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.629883 (E_RNA)
where:
Base-Base interactions energy: -578.737
where: short stacking energy: -229.274
Base-Backbone interact. energy: -2.600
local terms energy: -261.293199
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -63.016
flat angles C4'-P-C4' energy: -57.980
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -37.971
Dist. restrs. and SS energy: -183.600 (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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -984.059883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.059883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.059883 (E_RNA)
where:
Base-Base interactions energy: -544.382
where: short stacking energy: -225.457
Base-Backbone interact. energy: 0.530
local terms energy: -269.207406
where:
bonds (distance) C4'-P energy: -64.153
bonds (distance) P-C4' energy: -56.288
flat angles C4'-P-C4' energy: -64.796
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -42.654
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -951.207328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.207328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.607328 (E_RNA)
where:
Base-Base interactions energy: -520.749
where: short stacking energy: -203.325
Base-Backbone interact. energy: 0.271
local terms energy: -274.128863
where:
bonds (distance) C4'-P energy: -61.117
bonds (distance) P-C4' energy: -57.173
flat angles C4'-P-C4' energy: -61.362
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -51.372
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1417.060009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.060009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.860009 (E_RNA)
where:
Base-Base interactions energy: -828.859
where: short stacking energy: -324.074
Base-Backbone interact. energy: 1.018
local terms energy: -375.019630
where:
bonds (distance) C4'-P energy: -76.611
bonds (distance) P-C4' energy: -76.050
flat angles C4'-P-C4' energy: -79.265
flat angles P-C4'-P energy: -51.334
tors. eta vs tors. theta energy: -91.760
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1405.415153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.415153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.815153 (E_RNA)
where:
Base-Base interactions energy: -842.329
where: short stacking energy: -354.468
Base-Backbone interact. energy: 3.804
local terms energy: -365.291014
where:
bonds (distance) C4'-P energy: -70.633
bonds (distance) P-C4' energy: -72.618
flat angles C4'-P-C4' energy: -80.072
flat angles P-C4'-P energy: -50.729
tors. eta vs tors. theta energy: -91.239
Dist. restrs. and SS energy: -201.600 (S_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: 207
Temperature: 1.000000
Total energy: -1366.674791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.674791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.474791 (E_RNA)
where:
Base-Base interactions energy: -800.888
where: short stacking energy: -340.695
Base-Backbone interact. energy: -1.487
local terms energy: -350.099922
where:
bonds (distance) C4'-P energy: -60.218
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -81.389
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -94.817
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1319.958563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.958563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.158563 (E_RNA)
where:
Base-Base interactions energy: -782.495
where: short stacking energy: -308.665
Base-Backbone interact. energy: -4.858
local terms energy: -332.805558
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -62.869
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -78.960
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1285.166793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.166793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.166793 (E_RNA)
where:
Base-Base interactions energy: -742.500
where: short stacking energy: -287.277
Base-Backbone interact. energy: -1.154
local terms energy: -325.513428
where:
bonds (distance) C4'-P energy: -72.968
bonds (distance) P-C4' energy: -55.309
flat angles C4'-P-C4' energy: -66.643
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -76.168
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1185.832648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.832648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.832648 (E_RNA)
where:
Base-Base interactions energy: -693.349
where: short stacking energy: -293.549
Base-Backbone interact. energy: -1.911
local terms energy: -292.572767
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -41.876
tors. eta vs tors. theta energy: -74.188
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1153.644300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.644300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.844300 (E_RNA)
where:
Base-Base interactions energy: -636.315
where: short stacking energy: -269.478
Base-Backbone interact. energy: 5.528
local terms energy: -314.057804
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -72.446
flat angles P-C4'-P energy: -51.529
tors. eta vs tors. theta energy: -68.508
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -987.976908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.976908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.176908 (E_RNA)
where:
Base-Base interactions energy: -522.691
where: short stacking energy: -201.218
Base-Backbone interact. energy: -4.184
local terms energy: -288.302068
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -58.394
flat angles C4'-P-C4' energy: -69.198
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -50.618
Dist. restrs. and SS energy: -172.800 (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: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1015.252411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.252411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.852411 (E_RNA)
where:
Base-Base interactions energy: -563.480
where: short stacking energy: -211.930
Base-Backbone interact. energy: 1.241
local terms energy: -258.613344
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -64.456
flat angles C4'-P-C4' energy: -65.698
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -36.634
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -914.975160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.975160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.775160 (E_RNA)
where:
Base-Base interactions energy: -506.028
where: short stacking energy: -191.502
Base-Backbone interact. energy: 0.364
local terms energy: -249.110595
where:
bonds (distance) C4'-P energy: -65.697
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -51.335
flat angles P-C4'-P energy: -43.830
tors. eta vs tors. theta energy: -35.799
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1435.271349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.271349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.271349 (E_RNA)
where:
Base-Base interactions energy: -847.179
where: short stacking energy: -345.715
Base-Backbone interact. energy: -1.940
local terms energy: -370.152565
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -85.161
flat angles P-C4'-P energy: -61.646
tors. eta vs tors. theta energy: -92.308
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1395.799647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.799647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.599647 (E_RNA)
where:
Base-Base interactions energy: -828.043
where: short stacking energy: -339.833
Base-Backbone interact. energy: -0.394
local terms energy: -371.162941
where:
bonds (distance) C4'-P energy: -70.526
bonds (distance) P-C4' energy: -72.745
flat angles C4'-P-C4' energy: -80.672
flat angles P-C4'-P energy: -50.495
tors. eta vs tors. theta energy: -96.726
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1377.919665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.919665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.119665 (E_RNA)
where:
Base-Base interactions energy: -804.647
where: short stacking energy: -324.883
Base-Backbone interact. energy: -1.899
local terms energy: -353.574039
where:
bonds (distance) C4'-P energy: -71.823
bonds (distance) P-C4' energy: -68.702
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -47.271
tors. eta vs tors. theta energy: -83.425
Dist. restrs. and SS energy: -217.800 (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: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1307.473643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.473643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.673643 (E_RNA)
where:
Base-Base interactions energy: -757.426
where: short stacking energy: -297.188
Base-Backbone interact. energy: -3.484
local terms energy: -346.762694
where:
bonds (distance) C4'-P energy: -69.035
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -87.314
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1281.898218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.898218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.698218 (E_RNA)
where:
Base-Base interactions energy: -744.970
where: short stacking energy: -291.590
Base-Backbone interact. energy: -5.237
local terms energy: -326.491297
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -67.881
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -51.678
tors. eta vs tors. theta energy: -82.549
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1189.691241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.691241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.691241 (E_RNA)
where:
Base-Base interactions energy: -696.733
where: short stacking energy: -289.389
Base-Backbone interact. energy: -1.620
local terms energy: -293.338118
where:
bonds (distance) C4'-P energy: -56.381
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -54.109
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -76.361
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1160.098771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.098771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.298771 (E_RNA)
where:
Base-Base interactions energy: -654.451
where: short stacking energy: -263.992
Base-Backbone interact. energy: 3.925
local terms energy: -300.772760
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -69.843
flat angles C4'-P-C4' energy: -73.899
flat angles P-C4'-P energy: -36.397
tors. eta vs tors. theta energy: -61.469
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1025.772470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.772470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.972470 (E_RNA)
where:
Base-Base interactions energy: -569.602
where: short stacking energy: -222.421
Base-Backbone interact. energy: -1.466
local terms energy: -281.904548
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -69.986
flat angles P-C4'-P energy: -48.098
tors. eta vs tors. theta energy: -43.620
Dist. restrs. and SS energy: -172.800 (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: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1008.622838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.622838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.222838 (E_RNA)
where:
Base-Base interactions energy: -563.324
where: short stacking energy: -233.819
Base-Backbone interact. energy: -1.549
local terms energy: -258.349944
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -58.330
flat angles C4'-P-C4' energy: -61.959
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -54.792
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -904.315940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.315940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.515940 (E_RNA)
where:
Base-Base interactions energy: -509.592
where: short stacking energy: -203.516
Base-Backbone interact. energy: -2.828
local terms energy: -228.096038
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -56.941
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1406.372337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.372337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.372337 (E_RNA)
where:
Base-Base interactions energy: -820.383
where: short stacking energy: -333.860
Base-Backbone interact. energy: -1.328
local terms energy: -368.661610
where:
bonds (distance) C4'-P energy: -76.254
bonds (distance) P-C4' energy: -78.455
flat angles C4'-P-C4' energy: -81.601
flat angles P-C4'-P energy: -42.797
tors. eta vs tors. theta energy: -89.554
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1395.982533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.982533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.382533 (E_RNA)
where:
Base-Base interactions energy: -842.914
where: short stacking energy: -341.446
Base-Backbone interact. energy: -0.997
local terms energy: -350.471218
where:
bonds (distance) C4'-P energy: -66.946
bonds (distance) P-C4' energy: -69.119
flat angles C4'-P-C4' energy: -75.861
flat angles P-C4'-P energy: -49.726
tors. eta vs tors. theta energy: -88.820
Dist. restrs. and SS energy: -201.600 (S_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: 209
Temperature: 1.000000
Total energy: -1348.970432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.970432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.570432 (E_RNA)
where:
Base-Base interactions energy: -781.830
where: short stacking energy: -304.746
Base-Backbone interact. energy: -1.864
local terms energy: -352.876429
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -68.549
flat angles C4'-P-C4' energy: -76.088
flat angles P-C4'-P energy: -59.908
tors. eta vs tors. theta energy: -80.077
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1283.438080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.438080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.238080 (E_RNA)
where:
Base-Base interactions energy: -748.391
where: short stacking energy: -296.594
Base-Backbone interact. energy: 0.635
local terms energy: -321.481588
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -66.491
flat angles C4'-P-C4' energy: -73.506
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -74.933
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1275.938020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.938020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.138020 (E_RNA)
where:
Base-Base interactions energy: -739.125
where: short stacking energy: -331.978
Base-Backbone interact. energy: -0.743
local terms energy: -336.270379
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -54.656
flat angles C4'-P-C4' energy: -72.665
flat angles P-C4'-P energy: -54.087
tors. eta vs tors. theta energy: -90.920
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1179.387593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.387593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.587593 (E_RNA)
where:
Base-Base interactions energy: -676.763
where: short stacking energy: -275.677
Base-Backbone interact. energy: 0.010
local terms energy: -302.834750
where:
bonds (distance) C4'-P energy: -57.463
bonds (distance) P-C4' energy: -65.092
flat angles C4'-P-C4' energy: -69.317
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -69.495
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1194.843566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.843566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.443566 (E_RNA)
where:
Base-Base interactions energy: -681.468
where: short stacking energy: -276.001
Base-Backbone interact. energy: -0.388
local terms energy: -309.586840
where:
bonds (distance) C4'-P energy: -68.468
bonds (distance) P-C4' energy: -64.112
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -46.670
tors. eta vs tors. theta energy: -65.573
Dist. restrs. and SS energy: -203.400 (S_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: 209
Temperature: 1.250000
Total energy: -1074.609632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.609632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.009632 (E_RNA)
where:
Base-Base interactions energy: -603.999
where: short stacking energy: -231.920
Base-Backbone interact. energy: -2.919
local terms energy: -275.091614
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -55.748
flat angles C4'-P-C4' energy: -58.115
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -56.161
Dist. restrs. and SS energy: -192.600 (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: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -950.740922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.740922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.940922 (E_RNA)
where:
Base-Base interactions energy: -534.434
where: short stacking energy: -217.476
Base-Backbone interact. energy: -0.461
local terms energy: -243.046307
where:
bonds (distance) C4'-P energy: -44.188
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -48.826
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -939.748202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.748202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.948202 (E_RNA)
where:
Base-Base interactions energy: -548.392
where: short stacking energy: -239.984
Base-Backbone interact. energy: 1.406
local terms energy: -237.961747
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -64.361
flat angles C4'-P-C4' energy: -59.166
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -48.159
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1408.991149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.991149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.591149 (E_RNA)
where:
Base-Base interactions energy: -844.654
where: short stacking energy: -340.750
Base-Backbone interact. energy: -1.093
local terms energy: -350.843645
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -85.281
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: -88.145
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1409.706162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.706162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.906162 (E_RNA)
where:
Base-Base interactions energy: -831.266
where: short stacking energy: -341.639
Base-Backbone interact. energy: -1.051
local terms energy: -377.589076
where:
bonds (distance) C4'-P energy: -69.075
bonds (distance) P-C4' energy: -69.540
flat angles C4'-P-C4' energy: -81.525
flat angles P-C4'-P energy: -55.933
tors. eta vs tors. theta energy: -101.516
Dist. restrs. and SS energy: -199.800 (S_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: 210
Temperature: 1.000000
Total energy: -1351.599518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.599518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.599518 (E_RNA)
where:
Base-Base interactions energy: -798.159
where: short stacking energy: -330.689
Base-Backbone interact. energy: -0.321
local terms energy: -337.120255
where:
bonds (distance) C4'-P energy: -52.629
bonds (distance) P-C4' energy: -60.064
flat angles C4'-P-C4' energy: -78.506
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -93.677
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1307.003996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.003996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.603996 (E_RNA)
where:
Base-Base interactions energy: -765.627
where: short stacking energy: -307.662
Base-Backbone interact. energy: -2.601
local terms energy: -326.376233
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -70.943
flat angles P-C4'-P energy: -51.050
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: -212.400 (S_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: 210
Temperature: 1.100000
Total energy: -1305.536816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.536816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.536816 (E_RNA)
where:
Base-Base interactions energy: -767.478
where: short stacking energy: -331.678
Base-Backbone interact. energy: -0.715
local terms energy: -339.343915
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -60.264
flat angles C4'-P-C4' energy: -68.879
flat angles P-C4'-P energy: -52.017
tors. eta vs tors. theta energy: -88.019
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1184.502731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.502731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.902731 (E_RNA)
where:
Base-Base interactions energy: -671.550
where: short stacking energy: -279.489
Base-Backbone interact. energy: -5.018
local terms energy: -306.335072
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -80.585
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -61.242
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1204.652168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.652168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.252168 (E_RNA)
where:
Base-Base interactions energy: -714.865
where: short stacking energy: -271.635
Base-Backbone interact. energy: -0.605
local terms energy: -276.782748
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -59.607
Dist. restrs. and SS energy: -212.400 (S_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: 210
Temperature: 1.250000
Total energy: -1121.428075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.428075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.628075 (E_RNA)
where:
Base-Base interactions energy: -659.631
where: short stacking energy: -260.792
Base-Backbone interact. energy: 3.404
local terms energy: -256.400314
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -70.213
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -52.111
Dist. restrs. and SS energy: -208.800 (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: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -968.364348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.364348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.164348 (E_RNA)
where:
Base-Base interactions energy: -518.618
where: short stacking energy: -219.192
Base-Backbone interact. energy: -3.223
local terms energy: -277.322719
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -70.668
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -984.047142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.047142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.047142 (E_RNA)
where:
Base-Base interactions energy: -549.845
where: short stacking energy: -221.739
Base-Backbone interact. energy: -1.716
local terms energy: -279.486112
where:
bonds (distance) C4'-P energy: -66.505
bonds (distance) P-C4' energy: -59.447
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -52.889
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1428.723493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.723493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.723493 (E_RNA)
where:
Base-Base interactions energy: -850.057
where: short stacking energy: -328.996
Base-Backbone interact. energy: -4.172
local terms energy: -358.495201
where:
bonds (distance) C4'-P energy: -70.876
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -52.512
tors. eta vs tors. theta energy: -88.879
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1398.088351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.088351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.488351 (E_RNA)
where:
Base-Base interactions energy: -819.824
where: short stacking energy: -341.062
Base-Backbone interact. energy: -0.411
local terms energy: -376.252690
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -79.594
flat angles C4'-P-C4' energy: -79.288
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -97.978
Dist. restrs. and SS energy: -201.600 (S_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: 211
Temperature: 1.000000
Total energy: -1381.851049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.851049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.851049 (E_RNA)
where:
Base-Base interactions energy: -803.453
where: short stacking energy: -330.605
Base-Backbone interact. energy: -1.976
local terms energy: -360.422089
where:
bonds (distance) C4'-P energy: -62.401
bonds (distance) P-C4' energy: -72.821
flat angles C4'-P-C4' energy: -85.318
flat angles P-C4'-P energy: -48.484
tors. eta vs tors. theta energy: -91.398
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1321.274893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.274893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.874893 (E_RNA)
where:
Base-Base interactions energy: -771.163
where: short stacking energy: -317.861
Base-Backbone interact. energy: 1.339
local terms energy: -339.050531
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -68.331
flat angles C4'-P-C4' energy: -82.614
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -80.210
Dist. restrs. and SS energy: -212.400 (S_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: 211
Temperature: 1.100000
Total energy: -1279.708085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.708085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.708085 (E_RNA)
where:
Base-Base interactions energy: -746.637
where: short stacking energy: -310.872
Base-Backbone interact. energy: -2.183
local terms energy: -332.888411
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -74.224
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -78.607
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1201.593375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.593375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.993375 (E_RNA)
where:
Base-Base interactions energy: -691.878
where: short stacking energy: -281.165
Base-Backbone interact. energy: -0.088
local terms energy: -308.027766
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -80.513
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1191.658260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.658260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.258260 (E_RNA)
where:
Base-Base interactions energy: -696.095
where: short stacking energy: -260.824
Base-Backbone interact. energy: 2.096
local terms energy: -285.259699
where:
bonds (distance) C4'-P energy: -71.096
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -55.892
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -58.519
Dist. restrs. and SS energy: -212.400 (S_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: 211
Temperature: 1.250000
Total energy: -1156.711411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.711411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.711411 (E_RNA)
where:
Base-Base interactions energy: -699.808
where: short stacking energy: -297.302
Base-Backbone interact. energy: 5.084
local terms energy: -254.987671
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -61.563
flat angles C4'-P-C4' energy: -53.860
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -66.414
Dist. restrs. and SS energy: -207.000 (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: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -955.897465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.897465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.897465 (E_RNA)
where:
Base-Base interactions energy: -525.994
where: short stacking energy: -229.511
Base-Backbone interact. energy: 2.593
local terms energy: -261.496229
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -65.788
flat angles C4'-P-C4' energy: -59.480
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -45.009
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -986.127903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.127903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.527903 (E_RNA)
where:
Base-Base interactions energy: -550.917
where: short stacking energy: -226.576
Base-Backbone interact. energy: 0.271
local terms energy: -269.881184
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -71.678
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -49.450
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1441.888934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.888934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.688934 (E_RNA)
where:
Base-Base interactions energy: -856.830
where: short stacking energy: -333.636
Base-Backbone interact. energy: -1.934
local terms energy: -368.924976
where:
bonds (distance) C4'-P energy: -73.823
bonds (distance) P-C4' energy: -70.725
flat angles C4'-P-C4' energy: -82.283
flat angles P-C4'-P energy: -52.867
tors. eta vs tors. theta energy: -89.227
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1399.982744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.982744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.582744 (E_RNA)
where:
Base-Base interactions energy: -827.707
where: short stacking energy: -349.586
Base-Backbone interact. energy: -2.218
local terms energy: -366.657742
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -81.410
flat angles C4'-P-C4' energy: -79.818
flat angles P-C4'-P energy: -50.443
tors. eta vs tors. theta energy: -93.637
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1365.189107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.189107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.389107 (E_RNA)
where:
Base-Base interactions energy: -803.436
where: short stacking energy: -339.661
Base-Backbone interact. energy: -2.565
local terms energy: -350.388080
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -82.897
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -92.892
Dist. restrs. and SS energy: -208.800 (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: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1327.672966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.672966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.272966 (E_RNA)
where:
Base-Base interactions energy: -767.353
where: short stacking energy: -322.918
Base-Backbone interact. energy: -0.020
local terms energy: -347.900667
where:
bonds (distance) C4'-P energy: -61.019
bonds (distance) P-C4' energy: -75.130
flat angles C4'-P-C4' energy: -75.107
flat angles P-C4'-P energy: -59.171
tors. eta vs tors. theta energy: -77.474
Dist. restrs. and SS energy: -212.400 (S_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: 212
Temperature: 1.100000
Total energy: -1311.593341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.593341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.593341 (E_RNA)
where:
Base-Base interactions energy: -753.792
where: short stacking energy: -310.942
Base-Backbone interact. energy: -2.612
local terms energy: -357.188991
where:
bonds (distance) C4'-P energy: -76.137
bonds (distance) P-C4' energy: -69.117
flat angles C4'-P-C4' energy: -70.940
flat angles P-C4'-P energy: -47.967
tors. eta vs tors. theta energy: -93.029
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1220.702949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.702949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.502949 (E_RNA)
where:
Base-Base interactions energy: -694.408
where: short stacking energy: -272.481
Base-Backbone interact. energy: -0.571
local terms energy: -320.523636
where:
bonds (distance) C4'-P energy: -59.659
bonds (distance) P-C4' energy: -70.709
flat angles C4'-P-C4' energy: -75.327
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -76.373
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1235.820093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.820093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.020093 (E_RNA)
where:
Base-Base interactions energy: -714.525
where: short stacking energy: -283.186
Base-Backbone interact. energy: 0.803
local terms energy: -313.298064
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -68.675
flat angles C4'-P-C4' energy: -69.875
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -71.820
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1124.809545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.809545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.009545 (E_RNA)
where:
Base-Base interactions energy: -673.057
where: short stacking energy: -258.708
Base-Backbone interact. energy: 0.581
local terms energy: -243.533190
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -49.597
flat angles C4'-P-C4' energy: -51.192
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -51.434
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -970.577030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.577030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.777030 (E_RNA)
where:
Base-Base interactions energy: -549.748
where: short stacking energy: -215.869
Base-Backbone interact. energy: -2.205
local terms energy: -254.823840
where:
bonds (distance) C4'-P energy: -54.328
bonds (distance) P-C4' energy: -52.802
flat angles C4'-P-C4' energy: -62.058
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -946.996830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.996830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.796830 (E_RNA)
where:
Base-Base interactions energy: -515.714
where: short stacking energy: -217.148
Base-Backbone interact. energy: 4.578
local terms energy: -266.661278
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -53.673
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1447.427624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.427624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.227624 (E_RNA)
where:
Base-Base interactions energy: -859.382
where: short stacking energy: -358.722
Base-Backbone interact. energy: -3.800
local terms energy: -370.045787
where:
bonds (distance) C4'-P energy: -76.507
bonds (distance) P-C4' energy: -64.912
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -95.525
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1406.287100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.287100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.887100 (E_RNA)
where:
Base-Base interactions energy: -819.795
where: short stacking energy: -346.792
Base-Backbone interact. energy: -1.574
local terms energy: -372.518082
where:
bonds (distance) C4'-P energy: -67.357
bonds (distance) P-C4' energy: -72.081
flat angles C4'-P-C4' energy: -78.836
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -100.098
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1357.200823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.200823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.400823 (E_RNA)
where:
Base-Base interactions energy: -790.755
where: short stacking energy: -336.831
Base-Backbone interact. energy: -1.786
local terms energy: -364.859626
where:
bonds (distance) C4'-P energy: -64.671
bonds (distance) P-C4' energy: -77.202
flat angles C4'-P-C4' energy: -87.364
flat angles P-C4'-P energy: -52.231
tors. eta vs tors. theta energy: -83.391
Dist. restrs. and SS energy: -199.800 (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: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1297.877973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.877973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.277973 (E_RNA)
where:
Base-Base interactions energy: -751.891
where: short stacking energy: -307.894
Base-Backbone interact. energy: 0.129
local terms energy: -344.515809
where:
bonds (distance) C4'-P energy: -60.987
bonds (distance) P-C4' energy: -78.204
flat angles C4'-P-C4' energy: -74.586
flat angles P-C4'-P energy: -48.609
tors. eta vs tors. theta energy: -82.130
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1283.741092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.741092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.941092 (E_RNA)
where:
Base-Base interactions energy: -724.613
where: short stacking energy: -308.066
Base-Backbone interact. energy: 1.713
local terms energy: -343.041847
where:
bonds (distance) C4'-P energy: -64.464
bonds (distance) P-C4' energy: -72.286
flat angles C4'-P-C4' energy: -81.190
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -72.991
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1241.178630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.178630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.578630 (E_RNA)
where:
Base-Base interactions energy: -754.764
where: short stacking energy: -271.932
Base-Backbone interact. energy: 1.570
local terms energy: -277.384564
where:
bonds (distance) C4'-P energy: -62.714
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -58.810
Dist. restrs. and SS energy: -210.600 (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: 213
Temperature: 1.200000
Total energy: -1182.786664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.786664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.186664 (E_RNA)
where:
Base-Base interactions energy: -658.740
where: short stacking energy: -257.529
Base-Backbone interact. energy: -2.745
local terms energy: -310.701914
where:
bonds (distance) C4'-P energy: -65.904
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -72.027
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: -60.971
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1111.616609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.616609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.416609 (E_RNA)
where:
Base-Base interactions energy: -643.223
where: short stacking energy: -241.161
Base-Backbone interact. energy: 2.845
local terms energy: -275.038892
where:
bonds (distance) C4'-P energy: -58.519
bonds (distance) P-C4' energy: -64.974
flat angles C4'-P-C4' energy: -67.386
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -50.500
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -940.349048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.349048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.549048 (E_RNA)
where:
Base-Base interactions energy: -517.196
where: short stacking energy: -199.593
Base-Backbone interact. energy: 2.149
local terms energy: -261.502735
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -41.996
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -943.355634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.355634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.155634 (E_RNA)
where:
Base-Base interactions energy: -522.745
where: short stacking energy: -220.004
Base-Backbone interact. energy: -2.950
local terms energy: -248.460749
where:
bonds (distance) C4'-P energy: -50.235
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -60.952
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -48.689
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1435.213775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.213775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.813775 (E_RNA)
where:
Base-Base interactions energy: -852.614
where: short stacking energy: -347.107
Base-Backbone interact. energy: -1.265
local terms energy: -368.934872
where:
bonds (distance) C4'-P energy: -74.049
bonds (distance) P-C4' energy: -74.729
flat angles C4'-P-C4' energy: -79.663
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -91.509
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1431.450540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.250540 (E_RNA)
where:
Base-Base interactions energy: -844.257
where: short stacking energy: -360.261
Base-Backbone interact. energy: -2.656
local terms energy: -370.337645
where:
bonds (distance) C4'-P energy: -74.019
bonds (distance) P-C4' energy: -75.810
flat angles C4'-P-C4' energy: -74.970
flat angles P-C4'-P energy: -51.616
tors. eta vs tors. theta energy: -93.923
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1372.047920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.047920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.447920 (E_RNA)
where:
Base-Base interactions energy: -820.949
where: short stacking energy: -340.678
Base-Backbone interact. energy: 2.935
local terms energy: -352.434038
where:
bonds (distance) C4'-P energy: -65.819
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -86.909
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -94.269
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1295.673886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.673886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.673886 (E_RNA)
where:
Base-Base interactions energy: -740.228
where: short stacking energy: -307.717
Base-Backbone interact. energy: -0.586
local terms energy: -356.859852
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -76.204
flat angles C4'-P-C4' energy: -70.914
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: -90.511
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1272.950389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.950389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.550389 (E_RNA)
where:
Base-Base interactions energy: -757.486
where: short stacking energy: -295.851
Base-Backbone interact. energy: -2.897
local terms energy: -300.167670
where:
bonds (distance) C4'-P energy: -46.439
bonds (distance) P-C4' energy: -63.619
flat angles C4'-P-C4' energy: -75.051
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -76.635
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1241.812750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.812750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.612750 (E_RNA)
where:
Base-Base interactions energy: -717.458
where: short stacking energy: -270.735
Base-Backbone interact. energy: -2.967
local terms energy: -307.187164
where:
bonds (distance) C4'-P energy: -56.501
bonds (distance) P-C4' energy: -61.583
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1191.402823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.402823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.802823 (E_RNA)
where:
Base-Base interactions energy: -683.188
where: short stacking energy: -275.595
Base-Backbone interact. energy: 2.469
local terms energy: -309.084377
where:
bonds (distance) C4'-P energy: -56.063
bonds (distance) P-C4' energy: -77.470
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -76.123
Dist. restrs. and SS energy: -201.600 (S_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: 214
Temperature: 1.250000
Total energy: -1097.368165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.368165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.368165 (E_RNA)
where:
Base-Base interactions energy: -630.105
where: short stacking energy: -264.283
Base-Backbone interact. energy: -0.014
local terms energy: -269.248617
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -64.453
flat angles C4'-P-C4' energy: -57.347
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: -54.713
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -953.808063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.808063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.608063 (E_RNA)
where:
Base-Base interactions energy: -545.858
where: short stacking energy: -217.568
Base-Backbone interact. energy: -2.232
local terms energy: -245.518520
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -62.788
flat angles C4'-P-C4' energy: -61.839
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -34.565
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -941.107881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.107881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.907881 (E_RNA)
where:
Base-Base interactions energy: -502.650
where: short stacking energy: -210.803
Base-Backbone interact. energy: -1.401
local terms energy: -267.856205
where:
bonds (distance) C4'-P energy: -47.984
bonds (distance) P-C4' energy: -69.259
flat angles C4'-P-C4' energy: -66.455
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -41.465
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1433.523832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.523832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.523832 (E_RNA)
where:
Base-Base interactions energy: -849.440
where: short stacking energy: -346.690
Base-Backbone interact. energy: -1.179
local terms energy: -366.904736
where:
bonds (distance) C4'-P energy: -76.115
bonds (distance) P-C4' energy: -70.874
flat angles C4'-P-C4' energy: -80.021
flat angles P-C4'-P energy: -49.827
tors. eta vs tors. theta energy: -90.069
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1410.899923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.899923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.699923 (E_RNA)
where:
Base-Base interactions energy: -834.768
where: short stacking energy: -351.091
Base-Backbone interact. energy: 3.817
local terms energy: -365.748737
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -68.764
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -64.209
tors. eta vs tors. theta energy: -96.460
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1375.793432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.793432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.393432 (E_RNA)
where:
Base-Base interactions energy: -812.014
where: short stacking energy: -348.214
Base-Backbone interact. energy: -2.828
local terms energy: -357.551428
where:
bonds (distance) C4'-P energy: -71.357
bonds (distance) P-C4' energy: -69.930
flat angles C4'-P-C4' energy: -71.157
flat angles P-C4'-P energy: -50.866
tors. eta vs tors. theta energy: -94.242
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1303.914068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.914068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.114068 (E_RNA)
where:
Base-Base interactions energy: -755.849
where: short stacking energy: -321.918
Base-Backbone interact. energy: -1.004
local terms energy: -347.260820
where:
bonds (distance) C4'-P energy: -67.989
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -50.789
tors. eta vs tors. theta energy: -93.186
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1291.266550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.266550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.066550 (E_RNA)
where:
Base-Base interactions energy: -753.302
where: short stacking energy: -327.217
Base-Backbone interact. energy: 1.817
local terms energy: -325.581361
where:
bonds (distance) C4'-P energy: -71.721
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -77.331
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -88.686
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1264.323146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.323146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.323146 (E_RNA)
where:
Base-Base interactions energy: -775.087
where: short stacking energy: -297.205
Base-Backbone interact. energy: 8.419
local terms energy: -290.654870
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -67.247
flat angles C4'-P-C4' energy: -60.339
flat angles P-C4'-P energy: -33.375
tors. eta vs tors. theta energy: -66.276
Dist. restrs. and SS energy: -207.000 (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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1205.578369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.578369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.578369 (E_RNA)
where:
Base-Base interactions energy: -689.114
where: short stacking energy: -285.834
Base-Backbone interact. energy: -0.314
local terms energy: -318.150174
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -60.511
flat angles C4'-P-C4' energy: -73.644
flat angles P-C4'-P energy: -50.999
tors. eta vs tors. theta energy: -70.462
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1088.989011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.989011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.189011 (E_RNA)
where:
Base-Base interactions energy: -596.726
where: short stacking energy: -232.888
Base-Backbone interact. energy: 0.780
local terms energy: -293.243580
where:
bonds (distance) C4'-P energy: -68.109
bonds (distance) P-C4' energy: -67.755
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -43.430
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -976.794040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.794040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.594040 (E_RNA)
where:
Base-Base interactions energy: -557.906
where: short stacking energy: -232.649
Base-Backbone interact. energy: -1.207
local terms energy: -257.480853
where:
bonds (distance) C4'-P energy: -60.014
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -58.789
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -45.158
Dist. restrs. and SS energy: -160.200 (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: 7
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1003.983157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.983157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.183157 (E_RNA)
where:
Base-Base interactions energy: -585.400
where: short stacking energy: -228.159
Base-Backbone interact. energy: 1.482
local terms energy: -247.265633
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -48.209
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1436.980749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.980749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.580749 (E_RNA)
where:
Base-Base interactions energy: -847.306
where: short stacking energy: -354.805
Base-Backbone interact. energy: -2.056
local terms energy: -375.219135
where:
bonds (distance) C4'-P energy: -73.802
bonds (distance) P-C4' energy: -68.904
flat angles C4'-P-C4' energy: -80.634
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: -92.354
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1384.790852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.790852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.790852 (E_RNA)
where:
Base-Base interactions energy: -811.354
where: short stacking energy: -328.893
Base-Backbone interact. energy: -1.788
local terms energy: -355.648476
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -71.570
flat angles C4'-P-C4' energy: -76.110
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: -86.104
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1381.361461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.361461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.761461 (E_RNA)
where:
Base-Base interactions energy: -840.265
where: short stacking energy: -317.514
Base-Backbone interact. energy: 0.830
local terms energy: -340.326226
where:
bonds (distance) C4'-P energy: -72.928
bonds (distance) P-C4' energy: -68.067
flat angles C4'-P-C4' energy: -76.545
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -80.292
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1289.276104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.276104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.676104 (E_RNA)
where:
Base-Base interactions energy: -752.900
where: short stacking energy: -313.374
Base-Backbone interact. energy: -0.541
local terms energy: -334.235886
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -71.473
flat angles C4'-P-C4' energy: -64.284
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -84.859
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1267.548191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.548191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.348191 (E_RNA)
where:
Base-Base interactions energy: -724.509
where: short stacking energy: -310.755
Base-Backbone interact. energy: -1.579
local terms energy: -327.260297
where:
bonds (distance) C4'-P energy: -72.853
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -73.529
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -70.038
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1234.403184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.403184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.003184 (E_RNA)
where:
Base-Base interactions energy: -703.060
where: short stacking energy: -276.485
Base-Backbone interact. energy: -2.443
local terms energy: -316.499652
where:
bonds (distance) C4'-P energy: -73.081
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -67.260
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: -60.504
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1191.210251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.210251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.010251 (E_RNA)
where:
Base-Base interactions energy: -671.236
where: short stacking energy: -269.490
Base-Backbone interact. energy: 0.644
local terms energy: -324.417774
where:
bonds (distance) C4'-P energy: -71.807
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -66.151
flat angles P-C4'-P energy: -47.959
tors. eta vs tors. theta energy: -68.055
Dist. restrs. and SS energy: -196.200 (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: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1121.333135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.333135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.933135 (E_RNA)
where:
Base-Base interactions energy: -640.651
where: short stacking energy: -252.524
Base-Backbone interact. energy: 1.602
local terms energy: -287.883918
where:
bonds (distance) C4'-P energy: -51.136
bonds (distance) P-C4' energy: -73.000
flat angles C4'-P-C4' energy: -71.577
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: -58.079
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -944.661751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.661751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.061751 (E_RNA)
where:
Base-Base interactions energy: -523.557
where: short stacking energy: -237.472
Base-Backbone interact. energy: -2.353
local terms energy: -262.151864
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -63.343
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -50.338
Dist. restrs. and SS energy: -156.600 (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: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -973.401462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.401462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.201462 (E_RNA)
where:
Base-Base interactions energy: -537.744
where: short stacking energy: -226.033
Base-Backbone interact. energy: -1.994
local terms energy: -264.463833
where:
bonds (distance) C4'-P energy: -59.798
bonds (distance) P-C4' energy: -67.051
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -40.915
Dist. restrs. and SS energy: -169.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1421.195658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.195658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.995658 (E_RNA)
where:
Base-Base interactions energy: -837.852
where: short stacking energy: -341.189
Base-Backbone interact. energy: -1.982
local terms energy: -367.162124
where:
bonds (distance) C4'-P energy: -74.540
bonds (distance) P-C4' energy: -71.731
flat angles C4'-P-C4' energy: -81.630
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: -91.703
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1441.290645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.290645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.890645 (E_RNA)
where:
Base-Base interactions energy: -849.333
where: short stacking energy: -370.699
Base-Backbone interact. energy: 3.013
local terms energy: -382.570496
where:
bonds (distance) C4'-P energy: -69.851
bonds (distance) P-C4' energy: -73.189
flat angles C4'-P-C4' energy: -83.625
flat angles P-C4'-P energy: -54.983
tors. eta vs tors. theta energy: -100.922
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1387.640325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.640325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.840325 (E_RNA)
where:
Base-Base interactions energy: -844.340
where: short stacking energy: -338.428
Base-Backbone interact. energy: -2.650
local terms energy: -340.850227
where:
bonds (distance) C4'-P energy: -64.763
bonds (distance) P-C4' energy: -67.540
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -51.677
tors. eta vs tors. theta energy: -82.742
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1297.815754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.815754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.215754 (E_RNA)
where:
Base-Base interactions energy: -771.264
where: short stacking energy: -317.141
Base-Backbone interact. energy: -2.751
local terms energy: -322.200760
where:
bonds (distance) C4'-P energy: -62.311
bonds (distance) P-C4' energy: -68.580
flat angles C4'-P-C4' energy: -70.609
flat angles P-C4'-P energy: -43.263
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1245.098853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.098853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.298853 (E_RNA)
where:
Base-Base interactions energy: -710.787
where: short stacking energy: -276.877
Base-Backbone interact. energy: -3.552
local terms energy: -330.960144
where:
bonds (distance) C4'-P energy: -60.002
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -74.222
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1231.043477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.043477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.243477 (E_RNA)
where:
Base-Base interactions energy: -697.826
where: short stacking energy: -283.791
Base-Backbone interact. energy: -2.371
local terms energy: -322.045529
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -70.098
flat angles C4'-P-C4' energy: -74.601
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -81.118
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1212.949003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.949003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.749003 (E_RNA)
where:
Base-Base interactions energy: -711.984
where: short stacking energy: -277.115
Base-Backbone interact. energy: 1.142
local terms energy: -287.906520
where:
bonds (distance) C4'-P energy: -58.282
bonds (distance) P-C4' energy: -54.110
flat angles C4'-P-C4' energy: -73.477
flat angles P-C4'-P energy: -35.702
tors. eta vs tors. theta energy: -66.336
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1130.861956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.861956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.861956 (E_RNA)
where:
Base-Base interactions energy: -654.717
where: short stacking energy: -262.568
Base-Backbone interact. energy: -1.709
local terms energy: -276.436367
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -65.324
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -979.121758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.121758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.521758 (E_RNA)
where:
Base-Base interactions energy: -553.699
where: short stacking energy: -219.451
Base-Backbone interact. energy: -1.434
local terms energy: -258.389334
where:
bonds (distance) C4'-P energy: -42.307
bonds (distance) P-C4' energy: -56.506
flat angles C4'-P-C4' energy: -72.353
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -37.337
Dist. restrs. and SS energy: -165.600 (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: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -935.798599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.798599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.398599 (E_RNA)
where:
Base-Base interactions energy: -517.073
where: short stacking energy: -230.648
Base-Backbone interact. energy: -1.308
local terms energy: -250.017068
where:
bonds (distance) C4'-P energy: -62.876
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -55.160
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: -167.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1417.906100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.906100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.706100 (E_RNA)
where:
Base-Base interactions energy: -832.896
where: short stacking energy: -354.980
Base-Backbone interact. energy: -0.249
local terms energy: -370.561317
where:
bonds (distance) C4'-P energy: -75.031
bonds (distance) P-C4' energy: -70.288
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -59.710
tors. eta vs tors. theta energy: -92.652
Dist. restrs. and SS energy: -214.200 (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: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1400.173069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.173069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.973069 (E_RNA)
where:
Base-Base interactions energy: -825.407
where: short stacking energy: -342.575
Base-Backbone interact. energy: -1.736
local terms energy: -358.830661
where:
bonds (distance) C4'-P energy: -72.093
bonds (distance) P-C4' energy: -74.979
flat angles C4'-P-C4' energy: -75.681
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: -83.033
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1383.064168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.064168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.664168 (E_RNA)
where:
Base-Base interactions energy: -835.772
where: short stacking energy: -341.933
Base-Backbone interact. energy: -2.044
local terms energy: -341.848824
where:
bonds (distance) C4'-P energy: -69.951
bonds (distance) P-C4' energy: -60.470
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -88.817
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1306.006479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.006479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.406479 (E_RNA)
where:
Base-Base interactions energy: -755.281
where: short stacking energy: -325.219
Base-Backbone interact. energy: -3.730
local terms energy: -336.395541
where:
bonds (distance) C4'-P energy: -70.061
bonds (distance) P-C4' energy: -63.216
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -47.672
tors. eta vs tors. theta energy: -87.303
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1262.082501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.082501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.282501 (E_RNA)
where:
Base-Base interactions energy: -721.502
where: short stacking energy: -293.341
Base-Backbone interact. energy: -0.089
local terms energy: -340.691398
where:
bonds (distance) C4'-P energy: -61.939
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -79.720
flat angles P-C4'-P energy: -49.478
tors. eta vs tors. theta energy: -80.252
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1220.179395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.179395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.579395 (E_RNA)
where:
Base-Base interactions energy: -708.056
where: short stacking energy: -294.685
Base-Backbone interact. energy: -1.883
local terms energy: -308.640271
where:
bonds (distance) C4'-P energy: -55.508
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -80.821
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -84.230
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1197.568043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.568043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.168043 (E_RNA)
where:
Base-Base interactions energy: -706.221
where: short stacking energy: -252.859
Base-Backbone interact. energy: 1.298
local terms energy: -280.245039
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -55.474
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -62.502
Dist. restrs. and SS energy: -212.400 (S_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: 218
Temperature: 1.250000
Total energy: -1129.674397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.674397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.874397 (E_RNA)
where:
Base-Base interactions energy: -658.003
where: short stacking energy: -264.870
Base-Backbone interact. energy: -2.617
local terms energy: -269.254332
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -54.059
flat angles C4'-P-C4' energy: -62.647
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -58.472
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -983.598937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.598937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.598937 (E_RNA)
where:
Base-Base interactions energy: -561.332
where: short stacking energy: -234.009
Base-Backbone interact. energy: -0.874
local terms energy: -250.393181
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -67.463
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -50.246
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -940.805162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.805162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.005162 (E_RNA)
where:
Base-Base interactions energy: -525.883
where: short stacking energy: -214.418
Base-Backbone interact. energy: -0.908
local terms energy: -250.214821
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -57.752
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -41.281
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1438.409475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.609475 (E_RNA)
where:
Base-Base interactions energy: -839.471
where: short stacking energy: -337.014
Base-Backbone interact. energy: -1.528
local terms energy: -379.609799
where:
bonds (distance) C4'-P energy: -72.650
bonds (distance) P-C4' energy: -79.656
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -55.485
tors. eta vs tors. theta energy: -89.078
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1423.600281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.600281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.600281 (E_RNA)
where:
Base-Base interactions energy: -858.657
where: short stacking energy: -335.256
Base-Backbone interact. energy: -2.229
local terms energy: -364.715162
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -80.760
flat angles C4'-P-C4' energy: -79.054
flat angles P-C4'-P energy: -57.473
tors. eta vs tors. theta energy: -93.409
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1380.749898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.749898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.549898 (E_RNA)
where:
Base-Base interactions energy: -815.892
where: short stacking energy: -337.328
Base-Backbone interact. energy: -2.837
local terms energy: -347.820914
where:
bonds (distance) C4'-P energy: -63.414
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -79.479
flat angles P-C4'-P energy: -54.200
tors. eta vs tors. theta energy: -85.176
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1314.554294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.554294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.154294 (E_RNA)
where:
Base-Base interactions energy: -801.451
where: short stacking energy: -325.228
Base-Backbone interact. energy: -0.197
local terms energy: -318.506686
where:
bonds (distance) C4'-P energy: -55.354
bonds (distance) P-C4' energy: -63.552
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -41.394
tors. eta vs tors. theta energy: -90.108
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1258.086317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.086317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.286317 (E_RNA)
where:
Base-Base interactions energy: -716.052
where: short stacking energy: -287.296
Base-Backbone interact. energy: -1.629
local terms energy: -331.605075
where:
bonds (distance) C4'-P energy: -67.887
bonds (distance) P-C4' energy: -77.033
flat angles C4'-P-C4' energy: -73.902
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -72.465
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1216.023202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.023202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.623202 (E_RNA)
where:
Base-Base interactions energy: -696.192
where: short stacking energy: -280.141
Base-Backbone interact. energy: -2.105
local terms energy: -314.326818
where:
bonds (distance) C4'-P energy: -54.862
bonds (distance) P-C4' energy: -67.268
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -65.185
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1190.877919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.877919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.477919 (E_RNA)
where:
Base-Base interactions energy: -701.377
where: short stacking energy: -259.454
Base-Backbone interact. energy: -1.475
local terms energy: -275.626085
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -68.429
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -58.976
Dist. restrs. and SS energy: -212.400 (S_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: 219
Temperature: 1.250000
Total energy: -1142.114042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.114042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.114042 (E_RNA)
where:
Base-Base interactions energy: -646.467
where: short stacking energy: -257.602
Base-Backbone interact. energy: -1.861
local terms energy: -295.786274
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -72.812
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -65.191
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -953.212835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.212835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.212835 (E_RNA)
where:
Base-Base interactions energy: -502.813
where: short stacking energy: -215.595
Base-Backbone interact. energy: 0.666
local terms energy: -280.065395
where:
bonds (distance) C4'-P energy: -63.110
bonds (distance) P-C4' energy: -78.159
flat angles C4'-P-C4' energy: -62.935
flat angles P-C4'-P energy: -44.326
tors. eta vs tors. theta energy: -31.536
Dist. restrs. and SS energy: -171.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -932.686752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.686752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.086752 (E_RNA)
where:
Base-Base interactions energy: -493.550
where: short stacking energy: -201.293
Base-Backbone interact. energy: -2.414
local terms energy: -271.122733
where:
bonds (distance) C4'-P energy: -58.439
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -61.078
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -47.923
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1439.970216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.970216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.170216 (E_RNA)
where:
Base-Base interactions energy: -850.991
where: short stacking energy: -353.925
Base-Backbone interact. energy: -1.061
local terms energy: -370.117837
where:
bonds (distance) C4'-P energy: -64.342
bonds (distance) P-C4' energy: -79.098
flat angles C4'-P-C4' energy: -86.143
flat angles P-C4'-P energy: -53.611
tors. eta vs tors. theta energy: -86.924
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1430.938052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.938052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.338052 (E_RNA)
where:
Base-Base interactions energy: -862.751
where: short stacking energy: -336.583
Base-Backbone interact. energy: -2.078
local terms energy: -364.508690
where:
bonds (distance) C4'-P energy: -71.728
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -74.194
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -92.760
Dist. restrs. and SS energy: -201.600 (S_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: 220
Temperature: 1.000000
Total energy: -1375.991936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.991936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.391936 (E_RNA)
where:
Base-Base interactions energy: -814.210
where: short stacking energy: -321.914
Base-Backbone interact. energy: -0.849
local terms energy: -350.333415
where:
bonds (distance) C4'-P energy: -67.851
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -93.139
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1299.736767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.736767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.336767 (E_RNA)
where:
Base-Base interactions energy: -750.000
where: short stacking energy: -304.550
Base-Backbone interact. energy: -2.102
local terms energy: -353.234789
where:
bonds (distance) C4'-P energy: -67.011
bonds (distance) P-C4' energy: -78.650
flat angles C4'-P-C4' energy: -71.316
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -87.993
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1240.978498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.978498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.978498 (E_RNA)
where:
Base-Base interactions energy: -696.143
where: short stacking energy: -285.445
Base-Backbone interact. energy: -0.923
local terms energy: -327.913247
where:
bonds (distance) C4'-P energy: -72.238
bonds (distance) P-C4' energy: -79.366
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -72.649
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1238.050017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.050017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.850017 (E_RNA)
where:
Base-Base interactions energy: -723.690
where: short stacking energy: -305.775
Base-Backbone interact. energy: -2.841
local terms energy: -315.319028
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -69.463
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -81.626
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1152.740430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.740430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.940430 (E_RNA)
where:
Base-Base interactions energy: -645.343
where: short stacking energy: -267.552
Base-Backbone interact. energy: -3.473
local terms energy: -304.124120
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -65.993
flat angles C4'-P-C4' energy: -68.249
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -64.905
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1173.215097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.215097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.015097 (E_RNA)
where:
Base-Base interactions energy: -655.858
where: short stacking energy: -247.178
Base-Backbone interact. energy: -5.092
local terms energy: -298.064981
where:
bonds (distance) C4'-P energy: -79.002
bonds (distance) P-C4' energy: -63.634
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -953.118358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.118358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.918358 (E_RNA)
where:
Base-Base interactions energy: -534.183
where: short stacking energy: -218.628
Base-Backbone interact. energy: -2.365
local terms energy: -247.370526
where:
bonds (distance) C4'-P energy: -39.058
bonds (distance) P-C4' energy: -59.041
flat angles C4'-P-C4' energy: -62.272
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -50.094
Dist. restrs. and SS energy: -169.200 (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: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -897.380296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.380296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.580296 (E_RNA)
where:
Base-Base interactions energy: -501.778
where: short stacking energy: -212.264
Base-Backbone interact. energy: -2.196
local terms energy: -247.605816
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -32.017
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1452.507443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.507443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.307443 (E_RNA)
where:
Base-Base interactions energy: -868.976
where: short stacking energy: -366.356
Base-Backbone interact. energy: -2.621
local terms energy: -366.710944
where:
bonds (distance) C4'-P energy: -70.011
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -84.704
flat angles P-C4'-P energy: -55.211
tors. eta vs tors. theta energy: -87.763
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1411.197175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.197175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.797175 (E_RNA)
where:
Base-Base interactions energy: -839.015
where: short stacking energy: -350.026
Base-Backbone interact. energy: -2.155
local terms energy: -366.626515
where:
bonds (distance) C4'-P energy: -68.583
bonds (distance) P-C4' energy: -71.670
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -57.472
tors. eta vs tors. theta energy: -92.246
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1379.645135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.645135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.245135 (E_RNA)
where:
Base-Base interactions energy: -818.599
where: short stacking energy: -318.432
Base-Backbone interact. energy: -2.864
local terms energy: -345.782243
where:
bonds (distance) C4'-P energy: -59.681
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -83.196
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -85.397
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1299.359951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.359951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.759951 (E_RNA)
where:
Base-Base interactions energy: -749.288
where: short stacking energy: -301.910
Base-Backbone interact. energy: 0.137
local terms energy: -348.609603
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -79.016
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -84.924
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1253.724538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.724538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.324538 (E_RNA)
where:
Base-Base interactions energy: -715.762
where: short stacking energy: -290.487
Base-Backbone interact. energy: -0.580
local terms energy: -324.983013
where:
bonds (distance) C4'-P energy: -70.271
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -74.231
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -69.292
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1230.920684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.920684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.320684 (E_RNA)
where:
Base-Base interactions energy: -706.278
where: short stacking energy: -299.247
Base-Backbone interact. energy: -1.445
local terms energy: -321.598340
where:
bonds (distance) C4'-P energy: -63.376
bonds (distance) P-C4' energy: -59.669
flat angles C4'-P-C4' energy: -76.686
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -84.508
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1168.650193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.650193 (E_RNA)
where:
Base-Base interactions energy: -660.606
where: short stacking energy: -274.890
Base-Backbone interact. energy: 0.997
local terms energy: -311.040960
where:
bonds (distance) C4'-P energy: -60.729
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -69.405
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1176.274286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.274286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.874286 (E_RNA)
where:
Base-Base interactions energy: -695.657
where: short stacking energy: -264.082
Base-Backbone interact. energy: 2.188
local terms energy: -270.405158
where:
bonds (distance) C4'-P energy: -54.324
bonds (distance) P-C4' energy: -60.980
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -61.837
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -982.896515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.896515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.296515 (E_RNA)
where:
Base-Base interactions energy: -561.895
where: short stacking energy: -238.573
Base-Backbone interact. energy: -1.545
local terms energy: -253.856019
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -67.215
flat angles P-C4'-P energy: -43.116
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: -165.600 (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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -902.247382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.247382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.047382 (E_RNA)
where:
Base-Base interactions energy: -533.561
where: short stacking energy: -212.358
Base-Backbone interact. energy: 1.427
local terms energy: -227.912774
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -44.815
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1436.556879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.556879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.956879 (E_RNA)
where:
Base-Base interactions energy: -855.805
where: short stacking energy: -356.037
Base-Backbone interact. energy: -2.344
local terms energy: -376.808350
where:
bonds (distance) C4'-P energy: -68.763
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -80.288
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: -102.649
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1415.522246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.522246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.122246 (E_RNA)
where:
Base-Base interactions energy: -825.729
where: short stacking energy: -338.830
Base-Backbone interact. energy: -1.458
local terms energy: -375.935979
where:
bonds (distance) C4'-P energy: -69.925
bonds (distance) P-C4' energy: -72.068
flat angles C4'-P-C4' energy: -86.057
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -95.352
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1383.011691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.011691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.411691 (E_RNA)
where:
Base-Base interactions energy: -816.554
where: short stacking energy: -318.273
Base-Backbone interact. energy: -0.097
local terms energy: -355.760611
where:
bonds (distance) C4'-P energy: -69.849
bonds (distance) P-C4' energy: -64.309
flat angles C4'-P-C4' energy: -85.460
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -86.212
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1314.997782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.997782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.197782 (E_RNA)
where:
Base-Base interactions energy: -761.904
where: short stacking energy: -311.833
Base-Backbone interact. energy: -0.941
local terms energy: -352.352459
where:
bonds (distance) C4'-P energy: -62.227
bonds (distance) P-C4' energy: -69.393
flat angles C4'-P-C4' energy: -83.542
flat angles P-C4'-P energy: -52.063
tors. eta vs tors. theta energy: -85.128
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1231.346835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.346835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.546835 (E_RNA)
where:
Base-Base interactions energy: -690.638
where: short stacking energy: -282.511
Base-Backbone interact. energy: -2.973
local terms energy: -337.935271
where:
bonds (distance) C4'-P energy: -70.648
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -74.761
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -76.935
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1220.454313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.454313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.454313 (E_RNA)
where:
Base-Base interactions energy: -691.385
where: short stacking energy: -283.312
Base-Backbone interact. energy: -0.034
local terms energy: -313.035159
where:
bonds (distance) C4'-P energy: -64.101
bonds (distance) P-C4' energy: -53.258
flat angles C4'-P-C4' energy: -67.534
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -72.747
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1219.960930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.960930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.560930 (E_RNA)
where:
Base-Base interactions energy: -704.174
where: short stacking energy: -287.579
Base-Backbone interact. energy: -2.874
local terms energy: -300.512752
where:
bonds (distance) C4'-P energy: -52.451
bonds (distance) P-C4' energy: -61.351
flat angles C4'-P-C4' energy: -77.072
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -66.445
Dist. restrs. and SS energy: -212.400 (S_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: 222
Temperature: 1.250000
Total energy: -1151.006949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.006949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.206949 (E_RNA)
where:
Base-Base interactions energy: -647.236
where: short stacking energy: -266.783
Base-Backbone interact. energy: -1.362
local terms energy: -302.609761
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -76.239
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: -64.511
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -930.229198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.229198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.629198 (E_RNA)
where:
Base-Base interactions energy: -524.523
where: short stacking energy: -232.512
Base-Backbone interact. energy: -1.883
local terms energy: -256.223086
where:
bonds (distance) C4'-P energy: -55.383
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -49.701
Dist. restrs. and SS energy: -147.600 (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: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -960.865252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.865252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.265252 (E_RNA)
where:
Base-Base interactions energy: -547.400
where: short stacking energy: -204.367
Base-Backbone interact. energy: -2.351
local terms energy: -236.514365
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1437.781497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.781497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.781497 (E_RNA)
where:
Base-Base interactions energy: -858.297
where: short stacking energy: -347.033
Base-Backbone interact. energy: -1.547
local terms energy: -370.937681
where:
bonds (distance) C4'-P energy: -76.805
bonds (distance) P-C4' energy: -73.772
flat angles C4'-P-C4' energy: -71.705
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -101.046
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1391.770884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.770884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.370884 (E_RNA)
where:
Base-Base interactions energy: -827.705
where: short stacking energy: -331.439
Base-Backbone interact. energy: -1.259
local terms energy: -350.407023
where:
bonds (distance) C4'-P energy: -64.954
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -77.730
flat angles P-C4'-P energy: -54.261
tors. eta vs tors. theta energy: -85.054
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1361.215218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.215218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.215218 (E_RNA)
where:
Base-Base interactions energy: -807.377
where: short stacking energy: -322.718
Base-Backbone interact. energy: -1.293
local terms energy: -336.545315
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -68.542
flat angles C4'-P-C4' energy: -71.815
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -84.259
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1287.917549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.917549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.517549 (E_RNA)
where:
Base-Base interactions energy: -746.937
where: short stacking energy: -281.729
Base-Backbone interact. energy: -1.000
local terms energy: -336.580422
where:
bonds (distance) C4'-P energy: -60.821
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -75.612
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -75.536
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1249.337359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.337359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.937359 (E_RNA)
where:
Base-Base interactions energy: -742.719
where: short stacking energy: -299.814
Base-Backbone interact. energy: 4.030
local terms energy: -316.247593
where:
bonds (distance) C4'-P energy: -64.806
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -70.827
flat angles P-C4'-P energy: -48.185
tors. eta vs tors. theta energy: -71.314
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1257.615028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.615028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.215028 (E_RNA)
where:
Base-Base interactions energy: -722.157
where: short stacking energy: -285.924
Base-Backbone interact. energy: 1.969
local terms energy: -325.026764
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -83.260
flat angles C4'-P-C4' energy: -72.337
flat angles P-C4'-P energy: -47.670
tors. eta vs tors. theta energy: -71.874
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1240.947177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.947177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.947177 (E_RNA)
where:
Base-Base interactions energy: -704.954
where: short stacking energy: -268.823
Base-Backbone interact. energy: -1.476
local terms energy: -318.517953
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -73.690
flat angles C4'-P-C4' energy: -69.305
flat angles P-C4'-P energy: -54.245
tors. eta vs tors. theta energy: -69.894
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1143.096005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.096005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.496005 (E_RNA)
where:
Base-Base interactions energy: -655.342
where: short stacking energy: -261.972
Base-Backbone interact. energy: -1.423
local terms energy: -284.730955
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -65.115
flat angles C4'-P-C4' energy: -70.922
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -68.754
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -894.561684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.561684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.961684 (E_RNA)
where:
Base-Base interactions energy: -505.105
where: short stacking energy: -198.678
Base-Backbone interact. energy: 1.597
local terms energy: -243.453029
where:
bonds (distance) C4'-P energy: -49.234
bonds (distance) P-C4' energy: -65.276
flat angles C4'-P-C4' energy: -62.086
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -36.004
Dist. restrs. and SS energy: -147.600 (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: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1026.204366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.204366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.004366 (E_RNA)
where:
Base-Base interactions energy: -579.015
where: short stacking energy: -244.738
Base-Backbone interact. energy: -0.741
local terms energy: -259.248348
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -37.454
tors. eta vs tors. theta energy: -57.428
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1444.390001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.390001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.190001 (E_RNA)
where:
Base-Base interactions energy: -866.676
where: short stacking energy: -365.156
Base-Backbone interact. energy: -3.723
local terms energy: -368.790476
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -74.545
flat angles C4'-P-C4' energy: -76.663
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: -93.103
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1423.204113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.204113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.604113 (E_RNA)
where:
Base-Base interactions energy: -846.023
where: short stacking energy: -348.105
Base-Backbone interact. energy: -2.671
local terms energy: -363.909814
where:
bonds (distance) C4'-P energy: -71.732
bonds (distance) P-C4' energy: -65.229
flat angles C4'-P-C4' energy: -80.102
flat angles P-C4'-P energy: -50.295
tors. eta vs tors. theta energy: -96.552
Dist. restrs. and SS energy: -210.600 (S_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: -1326.503662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.503662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.303662 (E_RNA)
where:
Base-Base interactions energy: -779.823
where: short stacking energy: -313.325
Base-Backbone interact. energy: -5.796
local terms energy: -335.684245
where:
bonds (distance) C4'-P energy: -62.124
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -41.811
tors. eta vs tors. theta energy: -88.823
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1378.185800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.185800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.385800 (E_RNA)
where:
Base-Base interactions energy: -829.443
where: short stacking energy: -324.937
Base-Backbone interact. energy: -1.059
local terms energy: -338.883633
where:
bonds (distance) C4'-P energy: -73.174
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -71.148
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -85.604
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1273.122513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.122513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.522513 (E_RNA)
where:
Base-Base interactions energy: -758.459
where: short stacking energy: -306.659
Base-Backbone interact. energy: 2.187
local terms energy: -315.251218
where:
bonds (distance) C4'-P energy: -54.377
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -75.882
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -72.697
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1226.115248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.115248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.915248 (E_RNA)
where:
Base-Base interactions energy: -724.304
where: short stacking energy: -277.666
Base-Backbone interact. energy: 0.256
local terms energy: -287.866638
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -66.473
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -59.271
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1199.941067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.941067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.741067 (E_RNA)
where:
Base-Base interactions energy: -688.603
where: short stacking energy: -283.026
Base-Backbone interact. energy: -1.731
local terms energy: -295.406622
where:
bonds (distance) C4'-P energy: -66.121
bonds (distance) P-C4' energy: -63.980
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -58.029
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1134.471276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.471276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.471276 (E_RNA)
where:
Base-Base interactions energy: -640.590
where: short stacking energy: -248.814
Base-Backbone interact. energy: -0.552
local terms energy: -295.329661
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -48.866
tors. eta vs tors. theta energy: -54.657
Dist. restrs. and SS energy: -198.000 (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: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1082.764450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.764450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.564450 (E_RNA)
where:
Base-Base interactions energy: -615.535
where: short stacking energy: -248.217
Base-Backbone interact. energy: 2.155
local terms energy: -282.183948
where:
bonds (distance) C4'-P energy: -52.944
bonds (distance) P-C4' energy: -69.458
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -60.908
Dist. restrs. and SS energy: -187.200 (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: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -888.061673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.061673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.261673 (E_RNA)
where:
Base-Base interactions energy: -483.717
where: short stacking energy: -196.161
Base-Backbone interact. energy: -2.734
local terms energy: -255.810430
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -55.285
flat angles C4'-P-C4' energy: -61.794
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -43.333
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1430.673470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.673470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.273470 (E_RNA)
where:
Base-Base interactions energy: -848.016
where: short stacking energy: -347.754
Base-Backbone interact. energy: -2.555
local terms energy: -376.702276
where:
bonds (distance) C4'-P energy: -74.432
bonds (distance) P-C4' energy: -76.907
flat angles C4'-P-C4' energy: -90.492
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -96.138
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1441.158730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.158730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.158730 (E_RNA)
where:
Base-Base interactions energy: -840.022
where: short stacking energy: -353.785
Base-Backbone interact. energy: -1.768
local terms energy: -383.367806
where:
bonds (distance) C4'-P energy: -72.428
bonds (distance) P-C4' energy: -71.636
flat angles C4'-P-C4' energy: -83.692
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: -98.394
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1336.449747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.449747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.849747 (E_RNA)
where:
Base-Base interactions energy: -777.680
where: short stacking energy: -310.624
Base-Backbone interact. energy: -0.526
local terms energy: -356.644128
where:
bonds (distance) C4'-P energy: -69.644
bonds (distance) P-C4' energy: -68.016
flat angles C4'-P-C4' energy: -73.678
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: -91.315
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1348.695589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.695589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.295589 (E_RNA)
where:
Base-Base interactions energy: -797.778
where: short stacking energy: -300.223
Base-Backbone interact. energy: -3.936
local terms energy: -334.581751
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -62.738
flat angles C4'-P-C4' energy: -80.267
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -82.744
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1258.605130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.605130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.605130 (E_RNA)
where:
Base-Base interactions energy: -740.157
where: short stacking energy: -295.336
Base-Backbone interact. energy: -1.170
local terms energy: -319.278429
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -66.888
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -86.239
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1226.470808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.470808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.070808 (E_RNA)
where:
Base-Base interactions energy: -703.853
where: short stacking energy: -279.055
Base-Backbone interact. energy: -3.127
local terms energy: -307.090773
where:
bonds (distance) C4'-P energy: -54.177
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -79.398
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -61.029
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1204.954153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.954153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.754153 (E_RNA)
where:
Base-Base interactions energy: -674.408
where: short stacking energy: -279.460
Base-Backbone interact. energy: -1.928
local terms energy: -323.418163
where:
bonds (distance) C4'-P energy: -65.650
bonds (distance) P-C4' energy: -80.806
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -71.989
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1116.761441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.761441 (E_RNA)
where:
Base-Base interactions energy: -625.101
where: short stacking energy: -249.587
Base-Backbone interact. energy: -2.431
local terms energy: -291.230231
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -65.694
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -61.992
Dist. restrs. and SS energy: -198.000 (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: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1132.202030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.202030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.402030 (E_RNA)
where:
Base-Base interactions energy: -656.597
where: short stacking energy: -258.020
Base-Backbone interact. energy: 0.520
local terms energy: -276.325303
where:
bonds (distance) C4'-P energy: -54.370
bonds (distance) P-C4' energy: -50.032
flat angles C4'-P-C4' energy: -62.866
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -68.549
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -882.490083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.490083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.290083 (E_RNA)
where:
Base-Base interactions energy: -502.755
where: short stacking energy: -215.599
Base-Backbone interact. energy: -1.589
local terms energy: -235.946115
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -41.652
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1449.592192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.592192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.392192 (E_RNA)
where:
Base-Base interactions energy: -858.257
where: short stacking energy: -350.104
Base-Backbone interact. energy: -2.345
local terms energy: -383.790174
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -76.996
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -103.660
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1397.644040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.644040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.444040 (E_RNA)
where:
Base-Base interactions energy: -823.700
where: short stacking energy: -364.655
Base-Backbone interact. energy: -1.933
local terms energy: -357.811613
where:
bonds (distance) C4'-P energy: -56.623
bonds (distance) P-C4' energy: -70.980
flat angles C4'-P-C4' energy: -86.105
flat angles P-C4'-P energy: -54.146
tors. eta vs tors. theta energy: -89.958
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1343.371094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.371094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.771094 (E_RNA)
where:
Base-Base interactions energy: -782.088
where: short stacking energy: -324.973
Base-Backbone interact. energy: -2.135
local terms energy: -357.548248
where:
bonds (distance) C4'-P energy: -69.369
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -51.171
tors. eta vs tors. theta energy: -94.235
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1349.319449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.319449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.919449 (E_RNA)
where:
Base-Base interactions energy: -808.206
where: short stacking energy: -321.677
Base-Backbone interact. energy: -0.471
local terms energy: -328.242550
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -58.121
flat angles C4'-P-C4' energy: -71.485
flat angles P-C4'-P energy: -56.989
tors. eta vs tors. theta energy: -79.202
Dist. restrs. and SS energy: -212.400 (S_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: 226
Temperature: 1.100000
Total energy: -1274.835879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.835879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.835879 (E_RNA)
where:
Base-Base interactions energy: -753.713
where: short stacking energy: -290.470
Base-Backbone interact. energy: -2.802
local terms energy: -320.321089
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -70.258
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -76.374
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1276.470033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.470033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.070033 (E_RNA)
where:
Base-Base interactions energy: -751.763
where: short stacking energy: -307.473
Base-Backbone interact. energy: -4.710
local terms energy: -307.597021
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -62.514
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1255.224858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.224858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.224858 (E_RNA)
where:
Base-Base interactions energy: -718.928
where: short stacking energy: -285.159
Base-Backbone interact. energy: -1.756
local terms energy: -327.541766
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -68.059
flat angles C4'-P-C4' energy: -76.061
flat angles P-C4'-P energy: -45.576
tors. eta vs tors. theta energy: -79.598
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1191.454332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.454332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.454332 (E_RNA)
where:
Base-Base interactions energy: -686.649
where: short stacking energy: -273.861
Base-Backbone interact. energy: -1.765
local terms energy: -296.040935
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -72.785
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -60.207
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1121.769551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.769551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.769551 (E_RNA)
where:
Base-Base interactions energy: -665.180
where: short stacking energy: -263.611
Base-Backbone interact. energy: -1.946
local terms energy: -256.643535
where:
bonds (distance) C4'-P energy: -60.902
bonds (distance) P-C4' energy: -50.733
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -58.886
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -880.587763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.587763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.787763 (E_RNA)
where:
Base-Base interactions energy: -519.279
where: short stacking energy: -221.764
Base-Backbone interact. energy: -2.103
local terms energy: -204.405437
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -43.815
flat angles C4'-P-C4' energy: -48.692
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -37.200
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1442.357051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.357051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.757051 (E_RNA)
where:
Base-Base interactions energy: -865.171
where: short stacking energy: -351.590
Base-Backbone interact. energy: -0.942
local terms energy: -374.643876
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -83.237
flat angles C4'-P-C4' energy: -80.163
flat angles P-C4'-P energy: -56.317
tors. eta vs tors. theta energy: -95.171
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1337.585980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.585980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.785980 (E_RNA)
where:
Base-Base interactions energy: -784.198
where: short stacking energy: -339.026
Base-Backbone interact. energy: -0.704
local terms energy: -352.883455
where:
bonds (distance) C4'-P energy: -73.550
bonds (distance) P-C4' energy: -65.605
flat angles C4'-P-C4' energy: -74.018
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -92.969
Dist. restrs. and SS energy: -199.800 (S_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: 227
Temperature: 1.000000
Total energy: -1385.559389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.559389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.559389 (E_RNA)
where:
Base-Base interactions energy: -819.318
where: short stacking energy: -338.051
Base-Backbone interact. energy: -0.294
local terms energy: -349.946771
where:
bonds (distance) C4'-P energy: -70.797
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -71.122
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -90.665
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1356.439939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.439939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.039939 (E_RNA)
where:
Base-Base interactions energy: -786.761
where: short stacking energy: -319.667
Base-Backbone interact. energy: -2.606
local terms energy: -354.672615
where:
bonds (distance) C4'-P energy: -67.883
bonds (distance) P-C4' energy: -76.659
flat angles C4'-P-C4' energy: -74.345
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -86.611
Dist. restrs. and SS energy: -212.400 (S_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: 227
Temperature: 1.100000
Total energy: -1279.221736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.221736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.621736 (E_RNA)
where:
Base-Base interactions energy: -753.044
where: short stacking energy: -327.712
Base-Backbone interact. energy: -1.678
local terms energy: -322.899256
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -74.656
flat angles C4'-P-C4' energy: -66.295
flat angles P-C4'-P energy: -39.533
tors. eta vs tors. theta energy: -74.546
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1258.784566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.784566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.184566 (E_RNA)
where:
Base-Base interactions energy: -741.443
where: short stacking energy: -295.649
Base-Backbone interact. energy: 2.311
local terms energy: -318.052764
where:
bonds (distance) C4'-P energy: -58.166
bonds (distance) P-C4' energy: -66.264
flat angles C4'-P-C4' energy: -72.467
flat angles P-C4'-P energy: -48.216
tors. eta vs tors. theta energy: -72.940
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1208.845815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.845815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.445815 (E_RNA)
where:
Base-Base interactions energy: -700.698
where: short stacking energy: -269.102
Base-Backbone interact. energy: -1.691
local terms energy: -294.056959
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -67.514
Dist. restrs. and SS energy: -212.400 (S_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: 227
Temperature: 1.250000
Total energy: -1156.162079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.362079 (E_RNA)
where:
Base-Base interactions energy: -679.535
where: short stacking energy: -261.558
Base-Backbone interact. energy: 2.466
local terms energy: -279.293671
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -54.439
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1176.617617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.617617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.617617 (E_RNA)
where:
Base-Base interactions energy: -683.288
where: short stacking energy: -256.881
Base-Backbone interact. energy: -1.665
local terms energy: -284.664736
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -65.579
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -876.647980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.647980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.647980 (E_RNA)
where:
Base-Base interactions energy: -506.947
where: short stacking energy: -207.879
Base-Backbone interact. energy: -1.238
local terms energy: -215.463414
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -45.989
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1455.917817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.917817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.117817 (E_RNA)
where:
Base-Base interactions energy: -852.468
where: short stacking energy: -360.856
Base-Backbone interact. energy: -1.734
local terms energy: -401.916421
where:
bonds (distance) C4'-P energy: -75.455
bonds (distance) P-C4' energy: -79.420
flat angles C4'-P-C4' energy: -90.355
flat angles P-C4'-P energy: -52.631
tors. eta vs tors. theta energy: -104.055
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1345.546904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.546904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.746904 (E_RNA)
where:
Base-Base interactions energy: -769.583
where: short stacking energy: -335.123
Base-Backbone interact. energy: -0.433
local terms energy: -375.731132
where:
bonds (distance) C4'-P energy: -64.770
bonds (distance) P-C4' energy: -75.314
flat angles C4'-P-C4' energy: -80.686
flat angles P-C4'-P energy: -60.001
tors. eta vs tors. theta energy: -94.961
Dist. restrs. and SS energy: -199.800 (S_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: 228
Temperature: 1.000000
Total energy: -1375.429767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.429767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.829767 (E_RNA)
where:
Base-Base interactions energy: -821.900
where: short stacking energy: -334.252
Base-Backbone interact. energy: -3.032
local terms energy: -339.897482
where:
bonds (distance) C4'-P energy: -75.278
bonds (distance) P-C4' energy: -52.714
flat angles C4'-P-C4' energy: -76.469
flat angles P-C4'-P energy: -46.307
tors. eta vs tors. theta energy: -89.129
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1371.774151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.774151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.574151 (E_RNA)
where:
Base-Base interactions energy: -820.715
where: short stacking energy: -323.221
Base-Backbone interact. energy: 2.543
local terms energy: -339.401877
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -68.318
flat angles P-C4'-P energy: -48.855
tors. eta vs tors. theta energy: -91.226
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1239.586228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.586228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.986228 (E_RNA)
where:
Base-Base interactions energy: -718.558
where: short stacking energy: -282.968
Base-Backbone interact. energy: 2.375
local terms energy: -321.802873
where:
bonds (distance) C4'-P energy: -66.110
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -70.885
Dist. restrs. and SS energy: -201.600 (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: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1258.524031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.524031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.924031 (E_RNA)
where:
Base-Base interactions energy: -740.717
where: short stacking energy: -300.127
Base-Backbone interact. energy: 2.305
local terms energy: -318.511908
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -70.426
flat angles P-C4'-P energy: -57.409
tors. eta vs tors. theta energy: -75.453
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1188.777970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.777970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.777970 (E_RNA)
where:
Base-Base interactions energy: -671.752
where: short stacking energy: -285.281
Base-Backbone interact. energy: -1.948
local terms energy: -317.078649
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -65.932
flat angles C4'-P-C4' energy: -76.083
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: -76.181
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1175.281050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.281050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.281050 (E_RNA)
where:
Base-Base interactions energy: -683.435
where: short stacking energy: -282.818
Base-Backbone interact. energy: -2.743
local terms energy: -273.102971
where:
bonds (distance) C4'-P energy: -48.557
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -69.444
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: -64.505
Dist. restrs. and SS energy: -216.000 (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: 228
Temperature: 1.300000
Total energy: -1140.151033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.151033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.551033 (E_RNA)
where:
Base-Base interactions energy: -643.253
where: short stacking energy: -250.771
Base-Backbone interact. energy: -1.625
local terms energy: -284.673322
where:
bonds (distance) C4'-P energy: -63.773
bonds (distance) P-C4' energy: -48.561
flat angles C4'-P-C4' energy: -62.737
flat angles P-C4'-P energy: -50.024
tors. eta vs tors. theta energy: -59.578
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -912.493174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.493174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.693174 (E_RNA)
where:
Base-Base interactions energy: -505.994
where: short stacking energy: -206.261
Base-Backbone interact. energy: 1.358
local terms energy: -244.056678
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -43.576
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1442.270941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.270941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.470941 (E_RNA)
where:
Base-Base interactions energy: -843.674
where: short stacking energy: -335.029
Base-Backbone interact. energy: -2.151
local terms energy: -387.645512
where:
bonds (distance) C4'-P energy: -83.347
bonds (distance) P-C4' energy: -72.388
flat angles C4'-P-C4' energy: -83.881
flat angles P-C4'-P energy: -49.366
tors. eta vs tors. theta energy: -98.664
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1353.154130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.154130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.554130 (E_RNA)
where:
Base-Base interactions energy: -767.965
where: short stacking energy: -319.485
Base-Backbone interact. energy: -0.635
local terms energy: -382.954434
where:
bonds (distance) C4'-P energy: -75.891
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -76.931
flat angles P-C4'-P energy: -54.238
tors. eta vs tors. theta energy: -94.421
Dist. restrs. and SS energy: -201.600 (S_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: 229
Temperature: 1.000000
Total energy: -1367.600692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.600692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.200692 (E_RNA)
where:
Base-Base interactions energy: -815.148
where: short stacking energy: -320.454
Base-Backbone interact. energy: -3.447
local terms energy: -336.605335
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -64.200
flat angles C4'-P-C4' energy: -76.052
flat angles P-C4'-P energy: -52.915
tors. eta vs tors. theta energy: -78.725
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1349.086323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.086323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.086323 (E_RNA)
where:
Base-Base interactions energy: -803.794
where: short stacking energy: -315.604
Base-Backbone interact. energy: -4.673
local terms energy: -324.619773
where:
bonds (distance) C4'-P energy: -61.345
bonds (distance) P-C4' energy: -60.890
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -51.975
tors. eta vs tors. theta energy: -75.413
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1247.913331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.913331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.513331 (E_RNA)
where:
Base-Base interactions energy: -739.483
where: short stacking energy: -296.266
Base-Backbone interact. energy: -1.641
local terms energy: -312.389432
where:
bonds (distance) C4'-P energy: -50.598
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -72.382
flat angles P-C4'-P energy: -45.541
tors. eta vs tors. theta energy: -80.596
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1253.104488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.104488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.704488 (E_RNA)
where:
Base-Base interactions energy: -723.874
where: short stacking energy: -305.893
Base-Backbone interact. energy: -2.511
local terms energy: -323.318780
where:
bonds (distance) C4'-P energy: -58.938
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -51.155
tors. eta vs tors. theta energy: -82.076
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1192.129039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.129039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.929039 (E_RNA)
where:
Base-Base interactions energy: -676.609
where: short stacking energy: -273.264
Base-Backbone interact. energy: -1.393
local terms energy: -308.926924
where:
bonds (distance) C4'-P energy: -63.969
bonds (distance) P-C4' energy: -71.225
flat angles C4'-P-C4' energy: -70.345
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -67.495
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1228.334065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.334065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.934065 (E_RNA)
where:
Base-Base interactions energy: -707.490
where: short stacking energy: -280.376
Base-Backbone interact. energy: 0.850
local terms energy: -309.294470
where:
bonds (distance) C4'-P energy: -62.414
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -74.198
Dist. restrs. and SS energy: -212.400 (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: 229
Temperature: 1.300000
Total energy: -1169.596630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.596630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.796630 (E_RNA)
where:
Base-Base interactions energy: -681.847
where: short stacking energy: -255.330
Base-Backbone interact. energy: -0.739
local terms energy: -278.210825
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -64.024
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -61.646
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -923.203173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.203173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.803173 (E_RNA)
where:
Base-Base interactions energy: -514.337
where: short stacking energy: -229.291
Base-Backbone interact. energy: 1.730
local terms energy: -252.195507
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -57.064
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -43.457
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1452.594843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.594843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.794843 (E_RNA)
where:
Base-Base interactions energy: -866.496
where: short stacking energy: -341.508
Base-Backbone interact. energy: -2.417
local terms energy: -374.881822
where:
bonds (distance) C4'-P energy: -76.996
bonds (distance) P-C4' energy: -81.379
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -98.909
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1367.070836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.070836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.670836 (E_RNA)
where:
Base-Base interactions energy: -792.227
where: short stacking energy: -342.538
Base-Backbone interact. energy: -2.871
local terms energy: -368.573157
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -77.634
flat angles C4'-P-C4' energy: -76.331
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -92.716
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1381.410018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.410018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.210018 (E_RNA)
where:
Base-Base interactions energy: -818.318
where: short stacking energy: -324.205
Base-Backbone interact. energy: -3.111
local terms energy: -345.781253
where:
bonds (distance) C4'-P energy: -53.427
bonds (distance) P-C4' energy: -76.003
flat angles C4'-P-C4' energy: -84.118
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -84.930
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1325.599503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.599503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.399503 (E_RNA)
where:
Base-Base interactions energy: -782.711
where: short stacking energy: -325.512
Base-Backbone interact. energy: 3.255
local terms energy: -331.943899
where:
bonds (distance) C4'-P energy: -66.887
bonds (distance) P-C4' energy: -60.037
flat angles C4'-P-C4' energy: -69.566
flat angles P-C4'-P energy: -53.223
tors. eta vs tors. theta energy: -82.231
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1286.935978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.935978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.135978 (E_RNA)
where:
Base-Base interactions energy: -740.924
where: short stacking energy: -315.593
Base-Backbone interact. energy: -0.820
local terms energy: -345.391951
where:
bonds (distance) C4'-P energy: -55.662
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -82.141
flat angles P-C4'-P energy: -52.091
tors. eta vs tors. theta energy: -88.966
Dist. restrs. and SS energy: -199.800 (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: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1227.790299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.790299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.190299 (E_RNA)
where:
Base-Base interactions energy: -709.951
where: short stacking energy: -282.588
Base-Backbone interact. energy: 1.944
local terms energy: -318.183291
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -62.781
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -71.956
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1214.035620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.035620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.035620 (E_RNA)
where:
Base-Base interactions energy: -679.423
where: short stacking energy: -268.924
Base-Backbone interact. energy: 0.124
local terms energy: -318.737458
where:
bonds (distance) C4'-P energy: -62.114
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -79.479
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -73.431
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1137.667103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.667103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.067103 (E_RNA)
where:
Base-Base interactions energy: -650.878
where: short stacking energy: -269.668
Base-Backbone interact. energy: 1.009
local terms energy: -286.197890
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -59.270
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -57.179
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1158.412511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.412511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.212511 (E_RNA)
where:
Base-Base interactions energy: -654.003
where: short stacking energy: -244.082
Base-Backbone interact. energy: -1.028
local terms energy: -298.181754
where:
bonds (distance) C4'-P energy: -61.662
bonds (distance) P-C4' energy: -58.923
flat angles C4'-P-C4' energy: -68.233
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -61.044
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -937.865453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.865453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.865453 (E_RNA)
where:
Base-Base interactions energy: -509.438
where: short stacking energy: -200.930
Base-Backbone interact. energy: -2.449
local terms energy: -263.978280
where:
bonds (distance) C4'-P energy: -68.025
bonds (distance) P-C4' energy: -56.601
flat angles C4'-P-C4' energy: -64.522
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1483.886175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.886175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.886175 (E_RNA)
where:
Base-Base interactions energy: -896.618
where: short stacking energy: -361.454
Base-Backbone interact. energy: 1.392
local terms energy: -381.660155
where:
bonds (distance) C4'-P energy: -75.480
bonds (distance) P-C4' energy: -74.841
flat angles C4'-P-C4' energy: -83.077
flat angles P-C4'-P energy: -47.338
tors. eta vs tors. theta energy: -100.924
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1429.088538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.088538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.688538 (E_RNA)
where:
Base-Base interactions energy: -854.320
where: short stacking energy: -333.775
Base-Backbone interact. energy: 2.207
local terms energy: -364.575989
where:
bonds (distance) C4'-P energy: -79.848
bonds (distance) P-C4' energy: -69.370
flat angles C4'-P-C4' energy: -74.171
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -87.356
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1353.709478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.709478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.309478 (E_RNA)
where:
Base-Base interactions energy: -778.014
where: short stacking energy: -316.326
Base-Backbone interact. energy: -0.224
local terms energy: -372.071478
where:
bonds (distance) C4'-P energy: -72.533
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -81.594
flat angles P-C4'-P energy: -50.618
tors. eta vs tors. theta energy: -90.508
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1338.758265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.758265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.758265 (E_RNA)
where:
Base-Base interactions energy: -792.479
where: short stacking energy: -337.098
Base-Backbone interact. energy: -0.689
local terms energy: -338.590178
where:
bonds (distance) C4'-P energy: -66.328
bonds (distance) P-C4' energy: -54.657
flat angles C4'-P-C4' energy: -68.188
flat angles P-C4'-P energy: -53.987
tors. eta vs tors. theta energy: -95.429
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1295.788498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.788498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.388498 (E_RNA)
where:
Base-Base interactions energy: -745.213
where: short stacking energy: -276.601
Base-Backbone interact. energy: -1.217
local terms energy: -336.958531
where:
bonds (distance) C4'-P energy: -78.329
bonds (distance) P-C4' energy: -64.481
flat angles C4'-P-C4' energy: -68.677
flat angles P-C4'-P energy: -50.755
tors. eta vs tors. theta energy: -74.716
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1238.269215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.269215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.269215 (E_RNA)
where:
Base-Base interactions energy: -704.646
where: short stacking energy: -286.808
Base-Backbone interact. energy: -1.715
local terms energy: -333.908559
where:
bonds (distance) C4'-P energy: -79.045
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -41.895
tors. eta vs tors. theta energy: -76.770
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1257.796957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.796957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.196957 (E_RNA)
where:
Base-Base interactions energy: -721.702
where: short stacking energy: -302.180
Base-Backbone interact. energy: 9.817
local terms energy: -335.311968
where:
bonds (distance) C4'-P energy: -64.883
bonds (distance) P-C4' energy: -63.043
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -54.984
tors. eta vs tors. theta energy: -79.360
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1154.607299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.607299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.407299 (E_RNA)
where:
Base-Base interactions energy: -662.174
where: short stacking energy: -265.511
Base-Backbone interact. energy: 0.395
local terms energy: -287.628076
where:
bonds (distance) C4'-P energy: -53.266
bonds (distance) P-C4' energy: -58.656
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -62.379
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1106.034943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.034943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.634943 (E_RNA)
where:
Base-Base interactions energy: -628.555
where: short stacking energy: -252.479
Base-Backbone interact. energy: 1.554
local terms energy: -284.634604
where:
bonds (distance) C4'-P energy: -58.570
bonds (distance) P-C4' energy: -61.214
flat angles C4'-P-C4' energy: -62.702
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -59.006
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -946.994564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.994564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.194564 (E_RNA)
where:
Base-Base interactions energy: -537.854
where: short stacking energy: -217.437
Base-Backbone interact. energy: -0.343
local terms energy: -244.997860
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1458.502337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.502337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.502337 (E_RNA)
where:
Base-Base interactions energy: -865.055
where: short stacking energy: -342.239
Base-Backbone interact. energy: -2.645
local terms energy: -383.801638
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -82.084
flat angles C4'-P-C4' energy: -85.790
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -101.025
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1420.885307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.885307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.485307 (E_RNA)
where:
Base-Base interactions energy: -851.049
where: short stacking energy: -341.994
Base-Backbone interact. energy: -0.990
local terms energy: -356.445478
where:
bonds (distance) C4'-P energy: -58.444
bonds (distance) P-C4' energy: -82.755
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -90.196
Dist. restrs. and SS energy: -212.400 (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: 232
Temperature: 1.000000
Total energy: -1390.952934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.152934 (E_RNA)
where:
Base-Base interactions energy: -820.134
where: short stacking energy: -345.690
Base-Backbone interact. energy: -0.663
local terms energy: -361.356001
where:
bonds (distance) C4'-P energy: -64.149
bonds (distance) P-C4' energy: -62.453
flat angles C4'-P-C4' energy: -81.626
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -106.763
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1319.279434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.279434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.479434 (E_RNA)
where:
Base-Base interactions energy: -757.999
where: short stacking energy: -313.983
Base-Backbone interact. energy: -1.285
local terms energy: -360.196181
where:
bonds (distance) C4'-P energy: -82.415
bonds (distance) P-C4' energy: -71.173
flat angles C4'-P-C4' energy: -66.190
flat angles P-C4'-P energy: -56.791
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1318.040209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.040209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.040209 (E_RNA)
where:
Base-Base interactions energy: -757.743
where: short stacking energy: -320.042
Base-Backbone interact. energy: 5.748
local terms energy: -350.044356
where:
bonds (distance) C4'-P energy: -57.256
bonds (distance) P-C4' energy: -67.324
flat angles C4'-P-C4' energy: -82.494
flat angles P-C4'-P energy: -58.147
tors. eta vs tors. theta energy: -84.823
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1224.597117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.597117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.797117 (E_RNA)
where:
Base-Base interactions energy: -716.041
where: short stacking energy: -292.978
Base-Backbone interact. energy: -2.631
local terms energy: -306.125409
where:
bonds (distance) C4'-P energy: -51.316
bonds (distance) P-C4' energy: -61.787
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -76.115
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1211.695519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.695519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.295519 (E_RNA)
where:
Base-Base interactions energy: -703.328
where: short stacking energy: -292.755
Base-Backbone interact. energy: -1.700
local terms energy: -303.267633
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -65.635
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -44.462
tors. eta vs tors. theta energy: -66.286
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1164.409937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.409937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.009937 (E_RNA)
where:
Base-Base interactions energy: -656.977
where: short stacking energy: -263.960
Base-Backbone interact. energy: -2.487
local terms energy: -292.546071
where:
bonds (distance) C4'-P energy: -75.775
bonds (distance) P-C4' energy: -74.560
flat angles C4'-P-C4' energy: -54.536
flat angles P-C4'-P energy: -30.385
tors. eta vs tors. theta energy: -57.290
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1139.936269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.936269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.336269 (E_RNA)
where:
Base-Base interactions energy: -671.710
where: short stacking energy: -271.027
Base-Backbone interact. energy: -1.096
local terms energy: -265.529375
where:
bonds (distance) C4'-P energy: -56.181
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -57.526
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -59.351
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -926.843582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.843582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.643582 (E_RNA)
where:
Base-Base interactions energy: -538.248
where: short stacking energy: -205.781
Base-Backbone interact. energy: -2.133
local terms energy: -226.262822
where:
bonds (distance) C4'-P energy: -50.838
bonds (distance) P-C4' energy: -56.457
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1465.333955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.333955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.533955 (E_RNA)
where:
Base-Base interactions energy: -883.072
where: short stacking energy: -348.255
Base-Backbone interact. energy: 6.047
local terms energy: -379.508946
where:
bonds (distance) C4'-P energy: -70.721
bonds (distance) P-C4' energy: -74.804
flat angles C4'-P-C4' energy: -81.695
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: -98.086
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1418.989496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.989496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.989496 (E_RNA)
where:
Base-Base interactions energy: -841.106
where: short stacking energy: -336.995
Base-Backbone interact. energy: -3.343
local terms energy: -358.540468
where:
bonds (distance) C4'-P energy: -72.256
bonds (distance) P-C4' energy: -72.646
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -91.077
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1387.900123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.900123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.900123 (E_RNA)
where:
Base-Base interactions energy: -812.871
where: short stacking energy: -335.536
Base-Backbone interact. energy: -1.461
local terms energy: -366.567676
where:
bonds (distance) C4'-P energy: -72.664
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -79.338
flat angles P-C4'-P energy: -55.509
tors. eta vs tors. theta energy: -89.744
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1321.486919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.486919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.486919 (E_RNA)
where:
Base-Base interactions energy: -778.171
where: short stacking energy: -313.526
Base-Backbone interact. energy: 0.015
local terms energy: -327.331407
where:
bonds (distance) C4'-P energy: -64.553
bonds (distance) P-C4' energy: -82.736
flat angles C4'-P-C4' energy: -63.092
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -77.716
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1267.003952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.003952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.003952 (E_RNA)
where:
Base-Base interactions energy: -726.731
where: short stacking energy: -297.458
Base-Backbone interact. energy: -1.286
local terms energy: -340.987496
where:
bonds (distance) C4'-P energy: -63.097
bonds (distance) P-C4' energy: -59.767
flat angles C4'-P-C4' energy: -77.119
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -85.660
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1239.059231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.059231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.059231 (E_RNA)
where:
Base-Base interactions energy: -720.518
where: short stacking energy: -278.193
Base-Backbone interact. energy: -2.934
local terms energy: -317.606980
where:
bonds (distance) C4'-P energy: -71.725
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -70.026
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -69.871
Dist. restrs. and SS energy: -198.000 (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: 233
Temperature: 1.200000
Total energy: -1232.482541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.482541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.082541 (E_RNA)
where:
Base-Base interactions energy: -726.759
where: short stacking energy: -283.939
Base-Backbone interact. energy: -1.130
local terms energy: -301.192874
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -71.354
flat angles C4'-P-C4' energy: -65.248
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -70.570
Dist. restrs. and SS energy: -203.400 (S_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: 233
Temperature: 1.250000
Total energy: -1183.939875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.939875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.939875 (E_RNA)
where:
Base-Base interactions energy: -711.155
where: short stacking energy: -271.950
Base-Backbone interact. energy: -1.393
local terms energy: -273.391501
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -61.732
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1157.511260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.511260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.911260 (E_RNA)
where:
Base-Base interactions energy: -675.741
where: short stacking energy: -267.693
Base-Backbone interact. energy: -0.999
local terms energy: -270.170798
where:
bonds (distance) C4'-P energy: -56.544
bonds (distance) P-C4' energy: -46.412
flat angles C4'-P-C4' energy: -67.435
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -927.620084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.620084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.620084 (E_RNA)
where:
Base-Base interactions energy: -516.305
where: short stacking energy: -201.205
Base-Backbone interact. energy: -1.913
local terms energy: -247.402687
where:
bonds (distance) C4'-P energy: -65.052
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1456.871190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.871190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.471190 (E_RNA)
where:
Base-Base interactions energy: -861.636
where: short stacking energy: -359.392
Base-Backbone interact. energy: -1.716
local terms energy: -390.119485
where:
bonds (distance) C4'-P energy: -75.010
bonds (distance) P-C4' energy: -84.829
flat angles C4'-P-C4' energy: -80.915
flat angles P-C4'-P energy: -55.509
tors. eta vs tors. theta energy: -93.856
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1405.556196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.556196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.956196 (E_RNA)
where:
Base-Base interactions energy: -835.480
where: short stacking energy: -337.827
Base-Backbone interact. energy: -2.521
local terms energy: -356.955457
where:
bonds (distance) C4'-P energy: -66.537
bonds (distance) P-C4' energy: -71.946
flat angles C4'-P-C4' energy: -81.135
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -87.348
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1408.191198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.191198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.191198 (E_RNA)
where:
Base-Base interactions energy: -825.252
where: short stacking energy: -327.717
Base-Backbone interact. energy: -1.881
local terms energy: -374.058350
where:
bonds (distance) C4'-P energy: -68.654
bonds (distance) P-C4' energy: -75.865
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -53.391
tors. eta vs tors. theta energy: -95.032
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1330.633973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.633973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.033973 (E_RNA)
where:
Base-Base interactions energy: -781.846
where: short stacking energy: -319.003
Base-Backbone interact. energy: -1.988
local terms energy: -336.200047
where:
bonds (distance) C4'-P energy: -50.144
bonds (distance) P-C4' energy: -68.351
flat angles C4'-P-C4' energy: -77.632
flat angles P-C4'-P energy: -54.769
tors. eta vs tors. theta energy: -85.304
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1240.152976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.152976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.352976 (E_RNA)
where:
Base-Base interactions energy: -716.032
where: short stacking energy: -295.172
Base-Backbone interact. energy: -1.634
local terms energy: -331.686677
where:
bonds (distance) C4'-P energy: -61.990
bonds (distance) P-C4' energy: -59.789
flat angles C4'-P-C4' energy: -81.317
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -76.760
Dist. restrs. and SS energy: -190.800 (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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1217.741454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.741454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.141454 (E_RNA)
where:
Base-Base interactions energy: -686.283
where: short stacking energy: -284.794
Base-Backbone interact. energy: -1.866
local terms energy: -327.992467
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -70.793
flat angles P-C4'-P energy: -47.018
tors. eta vs tors. theta energy: -79.132
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1225.907430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.907430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.907430 (E_RNA)
where:
Base-Base interactions energy: -702.519
where: short stacking energy: -271.329
Base-Backbone interact. energy: 0.434
local terms energy: -307.822053
where:
bonds (distance) C4'-P energy: -59.207
bonds (distance) P-C4' energy: -66.871
flat angles C4'-P-C4' energy: -62.253
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -71.047
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1196.398193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.398193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.798193 (E_RNA)
where:
Base-Base interactions energy: -708.292
where: short stacking energy: -274.321
Base-Backbone interact. energy: 0.875
local terms energy: -287.381927
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -66.682
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1161.586890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.586890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.186890 (E_RNA)
where:
Base-Base interactions energy: -670.956
where: short stacking energy: -275.421
Base-Backbone interact. energy: -0.412
local terms energy: -277.818900
where:
bonds (distance) C4'-P energy: -54.405
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -66.946
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -963.818360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.818360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.818360 (E_RNA)
where:
Base-Base interactions energy: -557.498
where: short stacking energy: -224.780
Base-Backbone interact. energy: 0.014
local terms energy: -244.334670
where:
bonds (distance) C4'-P energy: -51.816
bonds (distance) P-C4' energy: -49.653
flat angles C4'-P-C4' energy: -56.733
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -44.737
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1455.496570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.496570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.496570 (E_RNA)
where:
Base-Base interactions energy: -870.222
where: short stacking energy: -356.883
Base-Backbone interact. energy: -1.735
local terms energy: -385.539539
where:
bonds (distance) C4'-P energy: -86.471
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: -96.252
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1407.518823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.518823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.118823 (E_RNA)
where:
Base-Base interactions energy: -821.540
where: short stacking energy: -337.135
Base-Backbone interact. energy: -3.223
local terms energy: -370.356049
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -78.007
flat angles C4'-P-C4' energy: -78.249
flat angles P-C4'-P energy: -49.430
tors. eta vs tors. theta energy: -91.959
Dist. restrs. and SS energy: -212.400 (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: 235
Temperature: 1.000000
Total energy: -1391.067701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.067701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.667701 (E_RNA)
where:
Base-Base interactions energy: -829.053
where: short stacking energy: -336.727
Base-Backbone interact. energy: -2.011
local terms energy: -356.602859
where:
bonds (distance) C4'-P energy: -64.434
bonds (distance) P-C4' energy: -71.813
flat angles C4'-P-C4' energy: -75.854
flat angles P-C4'-P energy: -56.394
tors. eta vs tors. theta energy: -88.108
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1302.400290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.400290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.600290 (E_RNA)
where:
Base-Base interactions energy: -780.202
where: short stacking energy: -300.061
Base-Backbone interact. energy: 0.001
local terms energy: -304.399417
where:
bonds (distance) C4'-P energy: -61.405
bonds (distance) P-C4' energy: -65.183
flat angles C4'-P-C4' energy: -69.025
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -60.767
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1278.810143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.810143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.810143 (E_RNA)
where:
Base-Base interactions energy: -734.871
where: short stacking energy: -321.870
Base-Backbone interact. energy: -1.439
local terms energy: -344.500805
where:
bonds (distance) C4'-P energy: -68.765
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -76.223
flat angles P-C4'-P energy: -46.907
tors. eta vs tors. theta energy: -93.487
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1231.500405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.500405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.100405 (E_RNA)
where:
Base-Base interactions energy: -707.273
where: short stacking energy: -281.817
Base-Backbone interact. energy: -1.043
local terms energy: -310.784847
where:
bonds (distance) C4'-P energy: -61.829
bonds (distance) P-C4' energy: -64.330
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -68.165
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1199.064262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.064262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.064262 (E_RNA)
where:
Base-Base interactions energy: -703.455
where: short stacking energy: -295.130
Base-Backbone interact. energy: 0.083
local terms energy: -297.692586
where:
bonds (distance) C4'-P energy: -66.326
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -59.264
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -78.580
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1170.059103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.059103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.059103 (E_RNA)
where:
Base-Base interactions energy: -674.632
where: short stacking energy: -258.428
Base-Backbone interact. energy: -3.275
local terms energy: -276.152457
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -67.257
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1188.305044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.305044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.505044 (E_RNA)
where:
Base-Base interactions energy: -700.893
where: short stacking energy: -271.038
Base-Backbone interact. energy: -1.348
local terms energy: -286.264181
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -64.272
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -62.333
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -966.038750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.038750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.438750 (E_RNA)
where:
Base-Base interactions energy: -555.956
where: short stacking energy: -228.387
Base-Backbone interact. energy: 2.309
local terms energy: -246.791713
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -31.168
tors. eta vs tors. theta energy: -52.570
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1458.495224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.495224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.095224 (E_RNA)
where:
Base-Base interactions energy: -880.147
where: short stacking energy: -373.168
Base-Backbone interact. energy: -1.337
local terms energy: -373.610793
where:
bonds (distance) C4'-P energy: -64.960
bonds (distance) P-C4' energy: -78.567
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -99.103
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1437.049459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.049459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.049459 (E_RNA)
where:
Base-Base interactions energy: -869.301
where: short stacking energy: -355.306
Base-Backbone interact. energy: 1.048
local terms energy: -352.796791
where:
bonds (distance) C4'-P energy: -67.472
bonds (distance) P-C4' energy: -73.247
flat angles C4'-P-C4' energy: -78.348
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -90.629
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1348.194108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.194108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.594108 (E_RNA)
where:
Base-Base interactions energy: -800.670
where: short stacking energy: -311.992
Base-Backbone interact. energy: -1.172
local terms energy: -335.751824
where:
bonds (distance) C4'-P energy: -60.523
bonds (distance) P-C4' energy: -69.687
flat angles C4'-P-C4' energy: -76.569
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: -76.774
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1371.281107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.281107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.881107 (E_RNA)
where:
Base-Base interactions energy: -803.935
where: short stacking energy: -332.405
Base-Backbone interact. energy: -1.491
local terms energy: -362.455039
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -50.503
tors. eta vs tors. theta energy: -93.524
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1295.189889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.189889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.189889 (E_RNA)
where:
Base-Base interactions energy: -761.528
where: short stacking energy: -307.561
Base-Backbone interact. energy: 0.145
local terms energy: -335.806836
where:
bonds (distance) C4'-P energy: -62.252
bonds (distance) P-C4' energy: -59.705
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -55.964
tors. eta vs tors. theta energy: -81.264
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1230.138361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.138361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.938361 (E_RNA)
where:
Base-Base interactions energy: -709.252
where: short stacking energy: -271.584
Base-Backbone interact. energy: -1.820
local terms energy: -304.867212
where:
bonds (distance) C4'-P energy: -68.946
bonds (distance) P-C4' energy: -66.171
flat angles C4'-P-C4' energy: -73.607
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: -57.215
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1205.580188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.580188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.580188 (E_RNA)
where:
Base-Base interactions energy: -692.160
where: short stacking energy: -283.000
Base-Backbone interact. energy: -2.663
local terms energy: -312.757218
where:
bonds (distance) C4'-P energy: -61.002
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -69.447
flat angles P-C4'-P energy: -43.538
tors. eta vs tors. theta energy: -79.328
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1167.214608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.214608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.814608 (E_RNA)
where:
Base-Base interactions energy: -683.399
where: short stacking energy: -276.530
Base-Backbone interact. energy: 4.781
local terms energy: -276.197263
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -64.495
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -70.111
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1167.016774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.016774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.016774 (E_RNA)
where:
Base-Base interactions energy: -666.094
where: short stacking energy: -254.477
Base-Backbone interact. energy: -1.548
local terms energy: -301.374818
where:
bonds (distance) C4'-P energy: -50.083
bonds (distance) P-C4' energy: -72.222
flat angles C4'-P-C4' energy: -66.767
flat angles P-C4'-P energy: -42.997
tors. eta vs tors. theta energy: -69.306
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -949.805411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.805411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.005411 (E_RNA)
where:
Base-Base interactions energy: -548.017
where: short stacking energy: -224.193
Base-Backbone interact. energy: -1.662
local terms energy: -236.327215
where:
bonds (distance) C4'-P energy: -54.635
bonds (distance) P-C4' energy: -56.914
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1464.142509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.142509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.742509 (E_RNA)
where:
Base-Base interactions energy: -885.401
where: short stacking energy: -358.657
Base-Backbone interact. energy: -2.167
local terms energy: -373.175101
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -88.204
flat angles P-C4'-P energy: -60.186
tors. eta vs tors. theta energy: -86.291
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1452.719126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.719126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.319126 (E_RNA)
where:
Base-Base interactions energy: -863.304
where: short stacking energy: -326.976
Base-Backbone interact. energy: -0.750
local terms energy: -376.264779
where:
bonds (distance) C4'-P energy: -71.262
bonds (distance) P-C4' energy: -74.437
flat angles C4'-P-C4' energy: -82.336
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -94.067
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1369.986340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.986340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.586340 (E_RNA)
where:
Base-Base interactions energy: -803.510
where: short stacking energy: -339.511
Base-Backbone interact. energy: 5.478
local terms energy: -359.554241
where:
bonds (distance) C4'-P energy: -65.618
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -74.791
flat angles P-C4'-P energy: -56.848
tors. eta vs tors. theta energy: -88.477
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1366.916958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.916958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.116958 (E_RNA)
where:
Base-Base interactions energy: -817.656
where: short stacking energy: -339.830
Base-Backbone interact. energy: 3.257
local terms energy: -343.718540
where:
bonds (distance) C4'-P energy: -62.857
bonds (distance) P-C4' energy: -63.681
flat angles C4'-P-C4' energy: -75.719
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -89.009
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1268.764731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.764731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.964731 (E_RNA)
where:
Base-Base interactions energy: -740.229
where: short stacking energy: -294.707
Base-Backbone interact. energy: -0.265
local terms energy: -328.470983
where:
bonds (distance) C4'-P energy: -71.789
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -48.807
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1253.732816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.732816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.732816 (E_RNA)
where:
Base-Base interactions energy: -716.247
where: short stacking energy: -287.688
Base-Backbone interact. energy: -1.287
local terms energy: -320.199335
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -72.172
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -73.092
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1182.597435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.597435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.397435 (E_RNA)
where:
Base-Base interactions energy: -666.323
where: short stacking energy: -272.824
Base-Backbone interact. energy: -1.501
local terms energy: -318.573017
where:
bonds (distance) C4'-P energy: -63.877
bonds (distance) P-C4' energy: -64.849
flat angles C4'-P-C4' energy: -73.547
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -63.450
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1142.408274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.408274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.608274 (E_RNA)
where:
Base-Base interactions energy: -655.021
where: short stacking energy: -247.733
Base-Backbone interact. energy: -1.281
local terms energy: -277.306982
where:
bonds (distance) C4'-P energy: -45.517
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -51.584
tors. eta vs tors. theta energy: -59.267
Dist. restrs. and SS energy: -208.800 (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: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1114.963799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.963799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.163799 (E_RNA)
where:
Base-Base interactions energy: -657.152
where: short stacking energy: -266.667
Base-Backbone interact. energy: -1.010
local terms energy: -266.002078
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -58.660
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -64.233
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -926.414202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.414202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.214202 (E_RNA)
where:
Base-Base interactions energy: -490.679
where: short stacking energy: -216.236
Base-Backbone interact. energy: -0.659
local terms energy: -274.876504
where:
bonds (distance) C4'-P energy: -68.585
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -39.994
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1457.806575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.806575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.406575 (E_RNA)
where:
Base-Base interactions energy: -874.961
where: short stacking energy: -332.699
Base-Backbone interact. energy: -2.535
local terms energy: -367.910726
where:
bonds (distance) C4'-P energy: -78.380
bonds (distance) P-C4' energy: -73.033
flat angles C4'-P-C4' energy: -75.472
flat angles P-C4'-P energy: -58.525
tors. eta vs tors. theta energy: -82.500
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1421.994844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.994844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.994844 (E_RNA)
where:
Base-Base interactions energy: -851.495
where: short stacking energy: -346.887
Base-Backbone interact. energy: -0.852
local terms energy: -371.647589
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -76.638
flat angles C4'-P-C4' energy: -77.115
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: -93.002
Dist. restrs. and SS energy: -198.000 (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: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1338.606646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.606646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.806646 (E_RNA)
where:
Base-Base interactions energy: -775.860
where: short stacking energy: -323.379
Base-Backbone interact. energy: 0.442
local terms energy: -354.388787
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -70.691
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -51.520
tors. eta vs tors. theta energy: -92.948
Dist. restrs. and SS energy: -208.800 (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: 238
Temperature: 1.050000
Total energy: -1355.790304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.790304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.990304 (E_RNA)
where:
Base-Base interactions energy: -792.879
where: short stacking energy: -324.170
Base-Backbone interact. energy: -2.577
local terms energy: -351.534596
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -69.530
flat angles C4'-P-C4' energy: -75.701
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -88.724
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1254.046637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.046637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.046637 (E_RNA)
where:
Base-Base interactions energy: -726.507
where: short stacking energy: -286.187
Base-Backbone interact. energy: -0.728
local terms energy: -328.811647
where:
bonds (distance) C4'-P energy: -64.735
bonds (distance) P-C4' energy: -67.236
flat angles C4'-P-C4' energy: -72.883
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -75.392
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1241.204428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.204428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.404428 (E_RNA)
where:
Base-Base interactions energy: -723.610
where: short stacking energy: -289.014
Base-Backbone interact. energy: -1.828
local terms energy: -306.966514
where:
bonds (distance) C4'-P energy: -63.545
bonds (distance) P-C4' energy: -66.049
flat angles C4'-P-C4' energy: -62.618
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -67.004
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1202.934171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.734171 (E_RNA)
where:
Base-Base interactions energy: -715.839
where: short stacking energy: -269.097
Base-Backbone interact. energy: -2.117
local terms energy: -288.778281
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -71.635
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -66.218
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1143.708047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.708047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.308047 (E_RNA)
where:
Base-Base interactions energy: -670.947
where: short stacking energy: -267.917
Base-Backbone interact. energy: 8.254
local terms energy: -268.614488
where:
bonds (distance) C4'-P energy: -52.350
bonds (distance) P-C4' energy: -69.460
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1075.454894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.454894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.254894 (E_RNA)
where:
Base-Base interactions energy: -633.283
where: short stacking energy: -242.625
Base-Backbone interact. energy: -1.776
local terms energy: -244.196778
where:
bonds (distance) C4'-P energy: -52.684
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -65.484
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -915.385260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.385260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.585260 (E_RNA)
where:
Base-Base interactions energy: -530.576
where: short stacking energy: -211.040
Base-Backbone interact. energy: 0.164
local terms energy: -221.173112
where:
bonds (distance) C4'-P energy: -47.044
bonds (distance) P-C4' energy: -37.534
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -42.154
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1465.738548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.738548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.138548 (E_RNA)
where:
Base-Base interactions energy: -871.501
where: short stacking energy: -333.749
Base-Backbone interact. energy: -1.866
local terms energy: -381.771500
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -84.422
flat angles P-C4'-P energy: -48.486
tors. eta vs tors. theta energy: -96.869
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1436.832618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.832618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.432618 (E_RNA)
where:
Base-Base interactions energy: -860.285
where: short stacking energy: -351.319
Base-Backbone interact. energy: -1.782
local terms energy: -371.365556
where:
bonds (distance) C4'-P energy: -72.463
bonds (distance) P-C4' energy: -70.849
flat angles C4'-P-C4' energy: -82.547
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -97.891
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1363.255605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.255605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.055605 (E_RNA)
where:
Base-Base interactions energy: -786.349
where: short stacking energy: -338.323
Base-Backbone interact. energy: 0.348
local terms energy: -363.054313
where:
bonds (distance) C4'-P energy: -64.385
bonds (distance) P-C4' energy: -73.820
flat angles C4'-P-C4' energy: -84.523
flat angles P-C4'-P energy: -48.910
tors. eta vs tors. theta energy: -91.416
Dist. restrs. and SS energy: -214.200 (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: 239
Temperature: 1.050000
Total energy: -1344.737863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.737863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.737863 (E_RNA)
where:
Base-Base interactions energy: -788.880
where: short stacking energy: -319.549
Base-Backbone interact. energy: -2.212
local terms energy: -346.645371
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -78.194
flat angles C4'-P-C4' energy: -74.624
flat angles P-C4'-P energy: -56.253
tors. eta vs tors. theta energy: -79.668
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1273.940141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.940141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.140141 (E_RNA)
where:
Base-Base interactions energy: -747.167
where: short stacking energy: -303.512
Base-Backbone interact. energy: -2.357
local terms energy: -324.616418
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -53.798
tors. eta vs tors. theta energy: -75.337
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1247.245509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.245509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.845509 (E_RNA)
where:
Base-Base interactions energy: -724.268
where: short stacking energy: -289.984
Base-Backbone interact. energy: 1.463
local terms energy: -312.040424
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -62.826
flat angles C4'-P-C4' energy: -71.669
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -64.762
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1208.034706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.034706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.234706 (E_RNA)
where:
Base-Base interactions energy: -712.305
where: short stacking energy: -275.415
Base-Backbone interact. energy: -2.616
local terms energy: -302.313931
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -79.449
flat angles P-C4'-P energy: -39.292
tors. eta vs tors. theta energy: -69.861
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1113.691401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.691401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.691401 (E_RNA)
where:
Base-Base interactions energy: -640.802
where: short stacking energy: -258.103
Base-Backbone interact. energy: -0.231
local terms energy: -274.658765
where:
bonds (distance) C4'-P energy: -61.299
bonds (distance) P-C4' energy: -54.739
flat angles C4'-P-C4' energy: -64.012
flat angles P-C4'-P energy: -45.461
tors. eta vs tors. theta energy: -49.147
Dist. restrs. and SS energy: -198.000 (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: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1100.574475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.374475 (E_RNA)
where:
Base-Base interactions energy: -612.297
where: short stacking energy: -237.091
Base-Backbone interact. energy: -0.557
local terms energy: -291.520862
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -62.868
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -56.230
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -915.946108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.946108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.946108 (E_RNA)
where:
Base-Base interactions energy: -502.892
where: short stacking energy: -221.141
Base-Backbone interact. energy: 4.158
local terms energy: -255.212133
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -62.470
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -40.809
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1465.824220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.824220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.824220 (E_RNA)
where:
Base-Base interactions energy: -879.173
where: short stacking energy: -360.278
Base-Backbone interact. energy: -3.878
local terms energy: -384.772866
where:
bonds (distance) C4'-P energy: -70.999
bonds (distance) P-C4' energy: -75.555
flat angles C4'-P-C4' energy: -83.304
flat angles P-C4'-P energy: -57.351
tors. eta vs tors. theta energy: -97.565
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1420.341737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.341737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.741737 (E_RNA)
where:
Base-Base interactions energy: -857.374
where: short stacking energy: -332.858
Base-Backbone interact. energy: -3.461
local terms energy: -348.906902
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -67.362
flat angles C4'-P-C4' energy: -80.783
flat angles P-C4'-P energy: -53.531
tors. eta vs tors. theta energy: -84.039
Dist. restrs. and SS energy: -210.600 (S_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: 240
Temperature: 1.000000
Total energy: -1366.419573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.419573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.219573 (E_RNA)
where:
Base-Base interactions energy: -788.295
where: short stacking energy: -330.168
Base-Backbone interact. energy: -1.699
local terms energy: -362.226342
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -77.182
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -56.447
tors. eta vs tors. theta energy: -89.532
Dist. restrs. and SS energy: -214.200 (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: 240
Temperature: 1.050000
Total energy: -1359.920719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.920719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.520719 (E_RNA)
where:
Base-Base interactions energy: -809.496
where: short stacking energy: -323.406
Base-Backbone interact. energy: -0.998
local terms energy: -346.026517
where:
bonds (distance) C4'-P energy: -66.246
bonds (distance) P-C4' energy: -73.100
flat angles C4'-P-C4' energy: -73.259
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -91.992
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1267.021011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.021011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.221011 (E_RNA)
where:
Base-Base interactions energy: -747.674
where: short stacking energy: -302.402
Base-Backbone interact. energy: 3.253
local terms energy: -322.800167
where:
bonds (distance) C4'-P energy: -58.979
bonds (distance) P-C4' energy: -63.626
flat angles C4'-P-C4' energy: -75.242
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -82.618
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1272.651521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.651521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.051521 (E_RNA)
where:
Base-Base interactions energy: -730.465
where: short stacking energy: -287.931
Base-Backbone interact. energy: 1.378
local terms energy: -332.964343
where:
bonds (distance) C4'-P energy: -62.333
bonds (distance) P-C4' energy: -76.705
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -55.647
tors. eta vs tors. theta energy: -71.479
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1207.274825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.274825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.074825 (E_RNA)
where:
Base-Base interactions energy: -686.439
where: short stacking energy: -283.235
Base-Backbone interact. energy: -1.600
local terms energy: -323.036140
where:
bonds (distance) C4'-P energy: -59.797
bonds (distance) P-C4' energy: -74.587
flat angles C4'-P-C4' energy: -70.312
flat angles P-C4'-P energy: -40.820
tors. eta vs tors. theta energy: -77.521
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1110.283375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.283375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.483375 (E_RNA)
where:
Base-Base interactions energy: -630.141
where: short stacking energy: -249.838
Base-Backbone interact. energy: -2.305
local terms energy: -278.037358
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -60.915
flat angles C4'-P-C4' energy: -67.077
flat angles P-C4'-P energy: -52.599
tors. eta vs tors. theta energy: -44.901
Dist. restrs. and SS energy: -199.800 (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: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1053.580592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.580592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.780592 (E_RNA)
where:
Base-Base interactions energy: -585.806
where: short stacking energy: -235.492
Base-Backbone interact. energy: -1.567
local terms energy: -266.408541
where:
bonds (distance) C4'-P energy: -55.963
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -34.331
tors. eta vs tors. theta energy: -52.420
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -906.939546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.939546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.739546 (E_RNA)
where:
Base-Base interactions energy: -498.949
where: short stacking energy: -194.578
Base-Backbone interact. energy: -1.283
local terms energy: -246.507485
where:
bonds (distance) C4'-P energy: -62.669
bonds (distance) P-C4' energy: -55.702
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1478.712941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.712941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.112941 (E_RNA)
where:
Base-Base interactions energy: -892.911
where: short stacking energy: -372.061
Base-Backbone interact. energy: -1.596
local terms energy: -382.606167
where:
bonds (distance) C4'-P energy: -73.940
bonds (distance) P-C4' energy: -81.010
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: -92.144
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1424.799001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.799001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.999001 (E_RNA)
where:
Base-Base interactions energy: -869.208
where: short stacking energy: -329.384
Base-Backbone interact. energy: -0.380
local terms energy: -346.410917
where:
bonds (distance) C4'-P energy: -67.844
bonds (distance) P-C4' energy: -66.621
flat angles C4'-P-C4' energy: -70.852
flat angles P-C4'-P energy: -60.346
tors. eta vs tors. theta energy: -80.747
Dist. restrs. and SS energy: -208.800 (S_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: 241
Temperature: 1.000000
Total energy: -1355.690269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.690269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.090269 (E_RNA)
where:
Base-Base interactions energy: -791.171
where: short stacking energy: -337.106
Base-Backbone interact. energy: -4.307
local terms energy: -349.612241
where:
bonds (distance) C4'-P energy: -72.057
bonds (distance) P-C4' energy: -70.627
flat angles C4'-P-C4' energy: -81.026
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -78.228
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1359.352808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.352808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.952808 (E_RNA)
where:
Base-Base interactions energy: -794.077
where: short stacking energy: -312.799
Base-Backbone interact. energy: -1.305
local terms energy: -360.570657
where:
bonds (distance) C4'-P energy: -71.623
bonds (distance) P-C4' energy: -71.667
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -52.164
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1261.638361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.638361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.638361 (E_RNA)
where:
Base-Base interactions energy: -721.504
where: short stacking energy: -325.921
Base-Backbone interact. energy: -0.590
local terms energy: -341.544241
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -62.542
flat angles C4'-P-C4' energy: -70.259
flat angles P-C4'-P energy: -49.582
tors. eta vs tors. theta energy: -86.338
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1245.461504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.461504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.061504 (E_RNA)
where:
Base-Base interactions energy: -722.872
where: short stacking energy: -262.574
Base-Backbone interact. energy: 2.423
local terms energy: -312.612587
where:
bonds (distance) C4'-P energy: -63.517
bonds (distance) P-C4' energy: -66.929
flat angles C4'-P-C4' energy: -80.592
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -61.177
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1207.581437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.581437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.581437 (E_RNA)
where:
Base-Base interactions energy: -707.587
where: short stacking energy: -278.233
Base-Backbone interact. energy: -0.224
local terms energy: -301.769867
where:
bonds (distance) C4'-P energy: -69.312
bonds (distance) P-C4' energy: -43.964
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -50.791
tors. eta vs tors. theta energy: -64.745
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1132.171414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.171414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.171414 (E_RNA)
where:
Base-Base interactions energy: -668.778
where: short stacking energy: -265.068
Base-Backbone interact. energy: 0.686
local terms energy: -275.079025
where:
bonds (distance) C4'-P energy: -56.617
bonds (distance) P-C4' energy: -65.680
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -35.052
tors. eta vs tors. theta energy: -54.374
Dist. restrs. and SS energy: -189.000 (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: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1094.640783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.640783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.240783 (E_RNA)
where:
Base-Base interactions energy: -624.907
where: short stacking energy: -246.784
Base-Backbone interact. energy: 1.507
local terms energy: -276.840927
where:
bonds (distance) C4'-P energy: -55.959
bonds (distance) P-C4' energy: -64.169
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -36.455
tors. eta vs tors. theta energy: -55.454
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -923.661502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.661502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.061502 (E_RNA)
where:
Base-Base interactions energy: -537.684
where: short stacking energy: -206.376
Base-Backbone interact. energy: 0.390
local terms energy: -229.767155
where:
bonds (distance) C4'-P energy: -56.613
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -62.426
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -32.270
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1475.886530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.886530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.486530 (E_RNA)
where:
Base-Base interactions energy: -900.442
where: short stacking energy: -348.010
Base-Backbone interact. energy: -2.081
local terms energy: -360.962967
where:
bonds (distance) C4'-P energy: -66.090
bonds (distance) P-C4' energy: -74.091
flat angles C4'-P-C4' energy: -80.799
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -85.669
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1428.436448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.436448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.036448 (E_RNA)
where:
Base-Base interactions energy: -856.407
where: short stacking energy: -347.646
Base-Backbone interact. energy: -3.012
local terms energy: -365.616975
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -67.986
flat angles C4'-P-C4' energy: -86.032
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -97.616
Dist. restrs. and SS energy: -203.400 (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: 242
Temperature: 1.000000
Total energy: -1391.696470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.696470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.896470 (E_RNA)
where:
Base-Base interactions energy: -815.240
where: short stacking energy: -337.456
Base-Backbone interact. energy: -1.748
local terms energy: -365.908866
where:
bonds (distance) C4'-P energy: -74.227
bonds (distance) P-C4' energy: -59.746
flat angles C4'-P-C4' energy: -84.106
flat angles P-C4'-P energy: -53.431
tors. eta vs tors. theta energy: -94.399
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1318.715248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.715248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.115248 (E_RNA)
where:
Base-Base interactions energy: -802.366
where: short stacking energy: -321.371
Base-Backbone interact. energy: 0.649
local terms energy: -306.397801
where:
bonds (distance) C4'-P energy: -40.100
bonds (distance) P-C4' energy: -64.232
flat angles C4'-P-C4' energy: -69.504
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: -79.650
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1286.609915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.609915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.209915 (E_RNA)
where:
Base-Base interactions energy: -755.824
where: short stacking energy: -284.020
Base-Backbone interact. energy: -2.195
local terms energy: -316.191390
where:
bonds (distance) C4'-P energy: -59.433
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -73.470
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -74.276
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1224.863228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.863228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.063228 (E_RNA)
where:
Base-Base interactions energy: -703.748
where: short stacking energy: -308.381
Base-Backbone interact. energy: -3.079
local terms energy: -318.235888
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -75.399
flat angles C4'-P-C4' energy: -67.547
flat angles P-C4'-P energy: -36.286
tors. eta vs tors. theta energy: -82.852
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1162.944035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.944035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.344035 (E_RNA)
where:
Base-Base interactions energy: -642.133
where: short stacking energy: -265.218
Base-Backbone interact. energy: -1.207
local terms energy: -318.004118
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -77.479
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -49.088
tors. eta vs tors. theta energy: -61.354
Dist. restrs. and SS energy: -201.600 (S_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: 242
Temperature: 1.250000
Total energy: -1136.310733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.310733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.110733 (E_RNA)
where:
Base-Base interactions energy: -653.907
where: short stacking energy: -252.748
Base-Backbone interact. energy: -1.913
local terms energy: -284.290989
where:
bonds (distance) C4'-P energy: -59.611
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -57.039
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1114.336306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.336306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.336306 (E_RNA)
where:
Base-Base interactions energy: -652.953
where: short stacking energy: -241.282
Base-Backbone interact. energy: -1.491
local terms energy: -261.892290
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -62.020
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -49.408
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -917.751300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.751300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.151300 (E_RNA)
where:
Base-Base interactions energy: -533.529
where: short stacking energy: -191.993
Base-Backbone interact. energy: -0.853
local terms energy: -226.769097
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -29.530
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1475.177157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.177157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.777157 (E_RNA)
where:
Base-Base interactions energy: -884.601
where: short stacking energy: -346.694
Base-Backbone interact. energy: -1.474
local terms energy: -376.702678
where:
bonds (distance) C4'-P energy: -77.659
bonds (distance) P-C4' energy: -81.284
flat angles C4'-P-C4' energy: -75.342
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -90.173
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1411.925055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.925055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.125055 (E_RNA)
where:
Base-Base interactions energy: -850.793
where: short stacking energy: -328.875
Base-Backbone interact. energy: -2.484
local terms energy: -358.847475
where:
bonds (distance) C4'-P energy: -65.591
bonds (distance) P-C4' energy: -71.569
flat angles C4'-P-C4' energy: -82.926
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -95.130
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1416.151709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.151709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.951709 (E_RNA)
where:
Base-Base interactions energy: -832.626
where: short stacking energy: -357.837
Base-Backbone interact. energy: -0.747
local terms energy: -377.578683
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -70.759
flat angles C4'-P-C4' energy: -83.867
flat angles P-C4'-P energy: -56.583
tors. eta vs tors. theta energy: -100.772
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1334.976474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.976474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.176474 (E_RNA)
where:
Base-Base interactions energy: -797.117
where: short stacking energy: -329.840
Base-Backbone interact. energy: 2.825
local terms energy: -331.885422
where:
bonds (distance) C4'-P energy: -60.625
bonds (distance) P-C4' energy: -66.471
flat angles C4'-P-C4' energy: -77.189
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -83.147
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1300.734950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.734950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.534950 (E_RNA)
where:
Base-Base interactions energy: -772.333
where: short stacking energy: -311.493
Base-Backbone interact. energy: 0.382
local terms energy: -314.583407
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -64.523
flat angles C4'-P-C4' energy: -72.143
flat angles P-C4'-P energy: -44.135
tors. eta vs tors. theta energy: -76.401
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1229.475106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.475106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.075106 (E_RNA)
where:
Base-Base interactions energy: -709.556
where: short stacking energy: -310.919
Base-Backbone interact. energy: -1.198
local terms energy: -324.320671
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -68.040
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -42.899
tors. eta vs tors. theta energy: -91.503
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1227.789138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.789138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.789138 (E_RNA)
where:
Base-Base interactions energy: -702.884
where: short stacking energy: -284.090
Base-Backbone interact. energy: 4.884
local terms energy: -331.788756
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -71.374
flat angles C4'-P-C4' energy: -79.523
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -76.877
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1137.873745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.873745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.073745 (E_RNA)
where:
Base-Base interactions energy: -652.338
where: short stacking energy: -257.991
Base-Backbone interact. energy: 4.701
local terms energy: -290.437200
where:
bonds (distance) C4'-P energy: -67.771
bonds (distance) P-C4' energy: -65.455
flat angles C4'-P-C4' energy: -62.329
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -54.932
Dist. restrs. and SS energy: -199.800 (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: 243
Temperature: 1.300000
Total energy: -1128.024002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.024002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.424002 (E_RNA)
where:
Base-Base interactions energy: -664.624
where: short stacking energy: -250.457
Base-Backbone interact. energy: -0.450
local terms energy: -270.349822
where:
bonds (distance) C4'-P energy: -63.676
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -58.394
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -57.943
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -944.863933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.863933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.863933 (E_RNA)
where:
Base-Base interactions energy: -549.323
where: short stacking energy: -222.061
Base-Backbone interact. energy: 3.247
local terms energy: -236.787527
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -69.567
flat angles C4'-P-C4' energy: -50.869
flat angles P-C4'-P energy: -30.026
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1471.308808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.308808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.108808 (E_RNA)
where:
Base-Base interactions energy: -886.089
where: short stacking energy: -331.204
Base-Backbone interact. energy: -3.632
local terms energy: -367.388114
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -73.846
flat angles C4'-P-C4' energy: -79.465
flat angles P-C4'-P energy: -51.798
tors. eta vs tors. theta energy: -85.052
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1449.767509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.767509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.167509 (E_RNA)
where:
Base-Base interactions energy: -867.216
where: short stacking energy: -353.763
Base-Backbone interact. energy: -0.286
local terms energy: -380.665760
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -74.616
flat angles C4'-P-C4' energy: -76.882
flat angles P-C4'-P energy: -64.515
tors. eta vs tors. theta energy: -98.208
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1387.824135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.824135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.824135 (E_RNA)
where:
Base-Base interactions energy: -820.141
where: short stacking energy: -346.458
Base-Backbone interact. energy: -0.913
local terms energy: -359.769902
where:
bonds (distance) C4'-P energy: -63.262
bonds (distance) P-C4' energy: -74.931
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -47.715
tors. eta vs tors. theta energy: -97.689
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1307.635318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.635318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.035318 (E_RNA)
where:
Base-Base interactions energy: -753.227
where: short stacking energy: -303.032
Base-Backbone interact. energy: 4.197
local terms energy: -348.005533
where:
bonds (distance) C4'-P energy: -63.816
bonds (distance) P-C4' energy: -80.732
flat angles C4'-P-C4' energy: -78.989
flat angles P-C4'-P energy: -45.897
tors. eta vs tors. theta energy: -78.572
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1282.901691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.901691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.701691 (E_RNA)
where:
Base-Base interactions energy: -758.854
where: short stacking energy: -297.126
Base-Backbone interact. energy: -0.082
local terms energy: -318.765090
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -80.559
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -70.581
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1253.230514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.230514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.030514 (E_RNA)
where:
Base-Base interactions energy: -728.245
where: short stacking energy: -294.396
Base-Backbone interact. energy: -2.704
local terms energy: -326.081305
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -78.195
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -45.561
tors. eta vs tors. theta energy: -74.572
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1169.655457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.655457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.055457 (E_RNA)
where:
Base-Base interactions energy: -677.907
where: short stacking energy: -284.118
Base-Backbone interact. energy: -1.339
local terms energy: -288.810103
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -65.350
flat angles C4'-P-C4' energy: -68.574
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -58.644
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1125.778082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.778082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.978082 (E_RNA)
where:
Base-Base interactions energy: -641.052
where: short stacking energy: -262.485
Base-Backbone interact. energy: -0.642
local terms energy: -284.283701
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -61.056
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: -59.748
Dist. restrs. and SS energy: -199.800 (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: 244
Temperature: 1.300000
Total energy: -1098.968209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.968209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.968209 (E_RNA)
where:
Base-Base interactions energy: -637.055
where: short stacking energy: -248.405
Base-Backbone interact. energy: 2.722
local terms energy: -275.635316
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -65.442
flat angles C4'-P-C4' energy: -62.991
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -54.074
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -967.868849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.868849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.268849 (E_RNA)
where:
Base-Base interactions energy: -573.789
where: short stacking energy: -229.801
Base-Backbone interact. energy: -1.316
local terms energy: -227.164499
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -51.494
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -46.230
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1459.789898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.789898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.789898 (E_RNA)
where:
Base-Base interactions energy: -880.690
where: short stacking energy: -351.328
Base-Backbone interact. energy: -2.514
local terms energy: -360.585695
where:
bonds (distance) C4'-P energy: -70.497
bonds (distance) P-C4' energy: -76.124
flat angles C4'-P-C4' energy: -77.705
flat angles P-C4'-P energy: -46.517
tors. eta vs tors. theta energy: -89.742
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1415.959698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.959698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.359698 (E_RNA)
where:
Base-Base interactions energy: -868.866
where: short stacking energy: -341.271
Base-Backbone interact. energy: -4.600
local terms energy: -340.893479
where:
bonds (distance) C4'-P energy: -58.420
bonds (distance) P-C4' energy: -74.374
flat angles C4'-P-C4' energy: -77.469
flat angles P-C4'-P energy: -38.052
tors. eta vs tors. theta energy: -92.578
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1383.695638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.695638 (E_RNA)
where:
Base-Base interactions energy: -802.924
where: short stacking energy: -325.981
Base-Backbone interact. energy: 0.191
local terms energy: -373.961907
where:
bonds (distance) C4'-P energy: -74.367
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -82.150
flat angles P-C4'-P energy: -59.780
tors. eta vs tors. theta energy: -89.368
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1293.581805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.581805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.981805 (E_RNA)
where:
Base-Base interactions energy: -755.096
where: short stacking energy: -314.055
Base-Backbone interact. energy: -0.075
local terms energy: -327.810625
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -73.134
flat angles C4'-P-C4' energy: -67.139
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -77.826
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1299.526865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.526865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.526865 (E_RNA)
where:
Base-Base interactions energy: -770.756
where: short stacking energy: -291.629
Base-Backbone interact. energy: 3.463
local terms energy: -325.234153
where:
bonds (distance) C4'-P energy: -66.447
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -77.708
flat angles P-C4'-P energy: -50.400
tors. eta vs tors. theta energy: -74.118
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1227.195605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.195605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.195605 (E_RNA)
where:
Base-Base interactions energy: -717.647
where: short stacking energy: -276.766
Base-Backbone interact. energy: -1.724
local terms energy: -309.824186
where:
bonds (distance) C4'-P energy: -67.210
bonds (distance) P-C4' energy: -67.622
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -33.624
tors. eta vs tors. theta energy: -71.301
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1171.831078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.431078 (E_RNA)
where:
Base-Base interactions energy: -660.273
where: short stacking energy: -274.347
Base-Backbone interact. energy: -3.202
local terms energy: -304.955715
where:
bonds (distance) C4'-P energy: -58.654
bonds (distance) P-C4' energy: -70.233
flat angles C4'-P-C4' energy: -73.402
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -58.176
Dist. restrs. and SS energy: -203.400 (S_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: 245
Temperature: 1.250000
Total energy: -1128.230339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.230339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.030339 (E_RNA)
where:
Base-Base interactions energy: -643.760
where: short stacking energy: -262.511
Base-Backbone interact. energy: -2.464
local terms energy: -285.807083
where:
bonds (distance) C4'-P energy: -57.181
bonds (distance) P-C4' energy: -63.208
flat angles C4'-P-C4' energy: -67.155
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -60.969
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1137.301830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.301830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.501830 (E_RNA)
where:
Base-Base interactions energy: -645.440
where: short stacking energy: -254.855
Base-Backbone interact. energy: -1.436
local terms energy: -290.626011
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -80.175
flat angles P-C4'-P energy: -42.972
tors. eta vs tors. theta energy: -56.604
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -981.329971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.329971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.329971 (E_RNA)
where:
Base-Base interactions energy: -555.737
where: short stacking energy: -230.684
Base-Backbone interact. energy: 0.246
local terms energy: -263.839293
where:
bonds (distance) C4'-P energy: -74.459
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -40.005
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1473.472390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.472390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.472390 (E_RNA)
where:
Base-Base interactions energy: -889.339
where: short stacking energy: -340.713
Base-Backbone interact. energy: -2.176
local terms energy: -365.956556
where:
bonds (distance) C4'-P energy: -81.086
bonds (distance) P-C4' energy: -80.260
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -57.343
tors. eta vs tors. theta energy: -73.724
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1428.843393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.843393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.043393 (E_RNA)
where:
Base-Base interactions energy: -866.106
where: short stacking energy: -344.157
Base-Backbone interact. energy: -2.619
local terms energy: -360.318282
where:
bonds (distance) C4'-P energy: -67.615
bonds (distance) P-C4' energy: -75.259
flat angles C4'-P-C4' energy: -81.295
flat angles P-C4'-P energy: -42.801
tors. eta vs tors. theta energy: -93.348
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1391.406188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.406188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.006188 (E_RNA)
where:
Base-Base interactions energy: -824.088
where: short stacking energy: -347.954
Base-Backbone interact. energy: -0.099
local terms energy: -363.819628
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -72.852
flat angles C4'-P-C4' energy: -79.095
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -86.603
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1279.357517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.357517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.357517 (E_RNA)
where:
Base-Base interactions energy: -736.010
where: short stacking energy: -310.514
Base-Backbone interact. energy: -2.881
local terms energy: -324.465964
where:
bonds (distance) C4'-P energy: -64.501
bonds (distance) P-C4' energy: -72.846
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -68.192
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1324.099211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.099211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.899211 (E_RNA)
where:
Base-Base interactions energy: -798.132
where: short stacking energy: -310.297
Base-Backbone interact. energy: -2.076
local terms energy: -318.691073
where:
bonds (distance) C4'-P energy: -60.093
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -76.202
flat angles P-C4'-P energy: -50.042
tors. eta vs tors. theta energy: -83.797
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. 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: -1281.687597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.687597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.087597 (E_RNA)
where:
Base-Base interactions energy: -756.833
where: short stacking energy: -318.365
Base-Backbone interact. energy: -0.403
local terms energy: -322.851972
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -60.841
flat angles C4'-P-C4' energy: -82.924
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -86.954
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1148.774896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.774896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.774896 (E_RNA)
where:
Base-Base interactions energy: -647.843
where: short stacking energy: -256.106
Base-Backbone interact. energy: 3.276
local terms energy: -306.207288
where:
bonds (distance) C4'-P energy: -69.194
bonds (distance) P-C4' energy: -71.287
flat angles C4'-P-C4' energy: -67.509
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -52.706
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1132.882460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.882460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.282460 (E_RNA)
where:
Base-Base interactions energy: -648.546
where: short stacking energy: -252.908
Base-Backbone interact. energy: 4.857
local terms energy: -296.593306
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -68.491
flat angles C4'-P-C4' energy: -62.106
flat angles P-C4'-P energy: -50.114
tors. eta vs tors. theta energy: -61.178
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1108.987702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.987702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.187702 (E_RNA)
where:
Base-Base interactions energy: -633.523
where: short stacking energy: -254.044
Base-Backbone interact. energy: -0.688
local terms energy: -274.976729
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -59.609
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -42.360
tors. eta vs tors. theta energy: -59.998
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -977.533692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.533692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.333692 (E_RNA)
where:
Base-Base interactions energy: -546.595
where: short stacking energy: -230.484
Base-Backbone interact. energy: -0.707
local terms energy: -270.032118
where:
bonds (distance) C4'-P energy: -66.879
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -63.460
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1453.350659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.350659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.950659 (E_RNA)
where:
Base-Base interactions energy: -884.036
where: short stacking energy: -332.197
Base-Backbone interact. energy: -4.214
local terms energy: -352.700584
where:
bonds (distance) C4'-P energy: -65.017
bonds (distance) P-C4' energy: -74.583
flat angles C4'-P-C4' energy: -80.577
flat angles P-C4'-P energy: -48.802
tors. eta vs tors. theta energy: -83.722
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1422.509691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.509691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.709691 (E_RNA)
where:
Base-Base interactions energy: -848.773
where: short stacking energy: -353.405
Base-Backbone interact. energy: -1.180
local terms energy: -372.756626
where:
bonds (distance) C4'-P energy: -71.019
bonds (distance) P-C4' energy: -62.792
flat angles C4'-P-C4' energy: -83.962
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -101.257
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1385.148452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.148452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.548452 (E_RNA)
where:
Base-Base interactions energy: -846.935
where: short stacking energy: -342.461
Base-Backbone interact. energy: -1.267
local terms energy: -335.347084
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -60.209
flat angles C4'-P-C4' energy: -72.295
flat angles P-C4'-P energy: -43.485
tors. eta vs tors. theta energy: -94.421
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1350.180673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.180673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.980673 (E_RNA)
where:
Base-Base interactions energy: -813.221
where: short stacking energy: -331.207
Base-Backbone interact. energy: -2.325
local terms energy: -329.434459
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -67.073
flat angles C4'-P-C4' energy: -66.966
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -83.387
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1300.289542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.289542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.089542 (E_RNA)
where:
Base-Base interactions energy: -756.545
where: short stacking energy: -293.006
Base-Backbone interact. energy: 0.202
local terms energy: -329.746818
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -72.146
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -47.832
tors. eta vs tors. theta energy: -77.164
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1320.890551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.890551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.890551 (E_RNA)
where:
Base-Base interactions energy: -791.290
where: short stacking energy: -316.523
Base-Backbone interact. energy: 0.025
local terms energy: -331.626154
where:
bonds (distance) C4'-P energy: -61.149
bonds (distance) P-C4' energy: -63.950
flat angles C4'-P-C4' energy: -81.252
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -81.663
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1143.912919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.912919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.712919 (E_RNA)
where:
Base-Base interactions energy: -677.058
where: short stacking energy: -265.710
Base-Backbone interact. energy: 2.049
local terms energy: -263.703767
where:
bonds (distance) C4'-P energy: -58.301
bonds (distance) P-C4' energy: -71.028
flat angles C4'-P-C4' energy: -57.214
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -48.406
Dist. restrs. and SS energy: -205.200 (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: 247
Temperature: 1.250000
Total energy: -1143.049592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.049592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.049592 (E_RNA)
where:
Base-Base interactions energy: -653.290
where: short stacking energy: -258.999
Base-Backbone interact. energy: 0.101
local terms energy: -291.860977
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -81.633
flat angles P-C4'-P energy: -37.088
tors. eta vs tors. theta energy: -55.378
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1084.467201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.467201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.267201 (E_RNA)
where:
Base-Base interactions energy: -596.756
where: short stacking energy: -243.398
Base-Backbone interact. energy: -2.324
local terms energy: -289.187260
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: -54.419
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -956.257767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.257767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.257767 (E_RNA)
where:
Base-Base interactions energy: -545.589
where: short stacking energy: -218.290
Base-Backbone interact. energy: 0.318
local terms energy: -248.986946
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -58.791
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -53.172
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1448.000034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.000034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.000034 (E_RNA)
where:
Base-Base interactions energy: -862.749
where: short stacking energy: -366.038
Base-Backbone interact. energy: -2.672
local terms energy: -384.578999
where:
bonds (distance) C4'-P energy: -69.493
bonds (distance) P-C4' energy: -76.777
flat angles C4'-P-C4' energy: -89.049
flat angles P-C4'-P energy: -53.880
tors. eta vs tors. theta energy: -95.380
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1424.343878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.343878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.343878 (E_RNA)
where:
Base-Base interactions energy: -856.844
where: short stacking energy: -337.277
Base-Backbone interact. energy: 1.785
local terms energy: -353.284768
where:
bonds (distance) C4'-P energy: -71.553
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -75.237
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -84.331
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1380.111439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.711439 (E_RNA)
where:
Base-Base interactions energy: -801.300
where: short stacking energy: -318.716
Base-Backbone interact. energy: -2.735
local terms energy: -363.676315
where:
bonds (distance) C4'-P energy: -75.419
bonds (distance) P-C4' energy: -69.310
flat angles C4'-P-C4' energy: -80.551
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1365.187779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.187779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.987779 (E_RNA)
where:
Base-Base interactions energy: -825.599
where: short stacking energy: -350.150
Base-Backbone interact. energy: -1.014
local terms energy: -333.374816
where:
bonds (distance) C4'-P energy: -66.624
bonds (distance) P-C4' energy: -68.982
flat angles C4'-P-C4' energy: -68.573
flat angles P-C4'-P energy: -34.389
tors. eta vs tors. theta energy: -94.807
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1315.079709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.079709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.079709 (E_RNA)
where:
Base-Base interactions energy: -782.616
where: short stacking energy: -314.594
Base-Backbone interact. energy: 2.684
local terms energy: -337.147823
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -68.106
flat angles C4'-P-C4' energy: -68.987
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -82.047
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1283.750069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.750069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.550069 (E_RNA)
where:
Base-Base interactions energy: -756.898
where: short stacking energy: -305.249
Base-Backbone interact. energy: 0.412
local terms energy: -313.063939
where:
bonds (distance) C4'-P energy: -75.576
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -67.334
flat angles P-C4'-P energy: -31.155
tors. eta vs tors. theta energy: -77.490
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1179.697480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.697480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.897480 (E_RNA)
where:
Base-Base interactions energy: -686.490
where: short stacking energy: -291.502
Base-Backbone interact. energy: 5.132
local terms energy: -298.539348
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -61.493
flat angles C4'-P-C4' energy: -71.678
flat angles P-C4'-P energy: -40.833
tors. eta vs tors. theta energy: -69.874
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1161.148528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.148528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.748528 (E_RNA)
where:
Base-Base interactions energy: -680.483
where: short stacking energy: -276.831
Base-Backbone interact. energy: -0.368
local terms energy: -276.897113
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -67.616
flat angles P-C4'-P energy: -28.605
tors. eta vs tors. theta energy: -65.222
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1107.749556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.749556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.149556 (E_RNA)
where:
Base-Base interactions energy: -620.088
where: short stacking energy: -242.173
Base-Backbone interact. energy: 1.145
local terms energy: -278.205922
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -65.781
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -44.344
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -918.973574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.973574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.973574 (E_RNA)
where:
Base-Base interactions energy: -516.574
where: short stacking energy: -221.768
Base-Backbone interact. energy: -0.011
local terms energy: -240.388272
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1453.340240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.340240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.540240 (E_RNA)
where:
Base-Base interactions energy: -874.841
where: short stacking energy: -357.190
Base-Backbone interact. energy: -3.435
local terms energy: -375.263708
where:
bonds (distance) C4'-P energy: -75.703
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -84.632
flat angles P-C4'-P energy: -55.612
tors. eta vs tors. theta energy: -95.530
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1446.350058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.350058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.750058 (E_RNA)
where:
Base-Base interactions energy: -868.005
where: short stacking energy: -333.536
Base-Backbone interact. energy: -4.853
local terms energy: -362.891534
where:
bonds (distance) C4'-P energy: -79.954
bonds (distance) P-C4' energy: -74.518
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -50.574
tors. eta vs tors. theta energy: -80.059
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1359.959383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.959383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.159383 (E_RNA)
where:
Base-Base interactions energy: -780.630
where: short stacking energy: -327.737
Base-Backbone interact. energy: -0.563
local terms energy: -369.967099
where:
bonds (distance) C4'-P energy: -68.288
bonds (distance) P-C4' energy: -71.465
flat angles C4'-P-C4' energy: -78.249
flat angles P-C4'-P energy: -60.396
tors. eta vs tors. theta energy: -91.569
Dist. restrs. and SS energy: -208.800 (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: 249
Temperature: 1.050000
Total energy: -1333.192440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.192440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.392440 (E_RNA)
where:
Base-Base interactions energy: -805.015
where: short stacking energy: -332.338
Base-Backbone interact. energy: 2.876
local terms energy: -331.253793
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -68.239
flat angles C4'-P-C4' energy: -76.325
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -89.612
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1299.264801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.264801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.464801 (E_RNA)
where:
Base-Base interactions energy: -781.408
where: short stacking energy: -316.296
Base-Backbone interact. energy: -2.100
local terms energy: -315.956613
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -66.057
flat angles C4'-P-C4' energy: -75.855
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -71.540
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1247.420139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.420139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.020139 (E_RNA)
where:
Base-Base interactions energy: -731.964
where: short stacking energy: -292.021
Base-Backbone interact. energy: -0.509
local terms energy: -302.546580
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -67.589
flat angles C4'-P-C4' energy: -74.812
flat angles P-C4'-P energy: -42.391
tors. eta vs tors. theta energy: -66.169
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1187.548028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.548028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.748028 (E_RNA)
where:
Base-Base interactions energy: -672.282
where: short stacking energy: -288.351
Base-Backbone interact. energy: 0.994
local terms energy: -316.459490
where:
bonds (distance) C4'-P energy: -72.963
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -68.632
flat angles P-C4'-P energy: -48.613
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1153.779289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.779289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.779289 (E_RNA)
where:
Base-Base interactions energy: -630.190
where: short stacking energy: -230.560
Base-Backbone interact. energy: -0.962
local terms energy: -306.627291
where:
bonds (distance) C4'-P energy: -71.617
bonds (distance) P-C4' energy: -66.970
flat angles C4'-P-C4' energy: -70.082
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -57.668
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1143.099773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.099773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.299773 (E_RNA)
where:
Base-Base interactions energy: -656.939
where: short stacking energy: -276.886
Base-Backbone interact. energy: -3.897
local terms energy: -282.463697
where:
bonds (distance) C4'-P energy: -61.169
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -61.392
flat angles P-C4'-P energy: -43.741
tors. eta vs tors. theta energy: -68.747
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -930.444468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.444468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.444468 (E_RNA)
where:
Base-Base interactions energy: -514.648
where: short stacking energy: -208.500
Base-Backbone interact. energy: 6.038
local terms energy: -259.834219
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -59.497
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -49.446
tors. eta vs tors. theta energy: -41.879
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1453.216651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.216651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.816651 (E_RNA)
where:
Base-Base interactions energy: -885.363
where: short stacking energy: -359.982
Base-Backbone interact. energy: -2.401
local terms energy: -362.052403
where:
bonds (distance) C4'-P energy: -68.144
bonds (distance) P-C4' energy: -77.951
flat angles C4'-P-C4' energy: -80.227
flat angles P-C4'-P energy: -47.124
tors. eta vs tors. theta energy: -88.607
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1443.941150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.941150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.341150 (E_RNA)
where:
Base-Base interactions energy: -866.267
where: short stacking energy: -332.889
Base-Backbone interact. energy: -1.497
local terms energy: -365.576397
where:
bonds (distance) C4'-P energy: -78.689
bonds (distance) P-C4' energy: -78.445
flat angles C4'-P-C4' energy: -80.015
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -75.818
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1373.646808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.646808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.646808 (E_RNA)
where:
Base-Base interactions energy: -808.156
where: short stacking energy: -326.626
Base-Backbone interact. energy: -1.097
local terms energy: -357.393701
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -77.162
flat angles C4'-P-C4' energy: -67.864
flat angles P-C4'-P energy: -54.356
tors. eta vs tors. theta energy: -94.680
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1332.440877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.440877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.040877 (E_RNA)
where:
Base-Base interactions energy: -784.883
where: short stacking energy: -306.460
Base-Backbone interact. energy: -4.758
local terms energy: -330.399498
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -79.948
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1283.070875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.070875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.470875 (E_RNA)
where:
Base-Base interactions energy: -742.710
where: short stacking energy: -306.109
Base-Backbone interact. energy: 1.848
local terms energy: -331.608035
where:
bonds (distance) C4'-P energy: -65.527
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -71.270
flat angles P-C4'-P energy: -48.315
tors. eta vs tors. theta energy: -73.659
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1305.089793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.089793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.689793 (E_RNA)
where:
Base-Base interactions energy: -764.423
where: short stacking energy: -300.136
Base-Backbone interact. energy: -3.730
local terms energy: -342.536238
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -66.646
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -49.201
tors. eta vs tors. theta energy: -86.436
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1141.246302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.246302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.846302 (E_RNA)
where:
Base-Base interactions energy: -662.673
where: short stacking energy: -261.050
Base-Backbone interact. energy: -1.665
local terms energy: -264.508507
where:
bonds (distance) C4'-P energy: -54.500
bonds (distance) P-C4' energy: -59.282
flat angles C4'-P-C4' energy: -64.414
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -59.353
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1160.144987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.144987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.744987 (E_RNA)
where:
Base-Base interactions energy: -681.090
where: short stacking energy: -270.021
Base-Backbone interact. energy: -1.037
local terms energy: -283.617840
where:
bonds (distance) C4'-P energy: -51.785
bonds (distance) P-C4' energy: -69.179
flat angles C4'-P-C4' energy: -54.332
flat angles P-C4'-P energy: -43.558
tors. eta vs tors. theta energy: -64.764
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1143.561492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.561492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.761492 (E_RNA)
where:
Base-Base interactions energy: -650.629
where: short stacking energy: -257.472
Base-Backbone interact. energy: -1.439
local terms energy: -291.693633
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -69.682
flat angles C4'-P-C4' energy: -71.497
flat angles P-C4'-P energy: -37.306
tors. eta vs tors. theta energy: -59.971
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -933.140336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.140336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.740336 (E_RNA)
where:
Base-Base interactions energy: -525.601
where: short stacking energy: -237.713
Base-Backbone interact. energy: -0.869
local terms energy: -248.270143
where:
bonds (distance) C4'-P energy: -49.636
bonds (distance) P-C4' energy: -63.262
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1442.951417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.951417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.351417 (E_RNA)
where:
Base-Base interactions energy: -853.080
where: short stacking energy: -339.878
Base-Backbone interact. energy: -3.708
local terms energy: -384.563477
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -82.904
flat angles C4'-P-C4' energy: -85.805
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -94.487
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1413.569904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.569904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.569904 (E_RNA)
where:
Base-Base interactions energy: -840.903
where: short stacking energy: -352.571
Base-Backbone interact. energy: -2.083
local terms energy: -363.583548
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -72.252
flat angles C4'-P-C4' energy: -81.130
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -101.581
Dist. restrs. and SS energy: -207.000 (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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1430.657135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.657135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.457135 (E_RNA)
where:
Base-Base interactions energy: -848.109
where: short stacking energy: -331.404
Base-Backbone interact. energy: -2.920
local terms energy: -365.427925
where:
bonds (distance) C4'-P energy: -65.357
bonds (distance) P-C4' energy: -68.095
flat angles C4'-P-C4' energy: -87.652
flat angles P-C4'-P energy: -59.071
tors. eta vs tors. theta energy: -85.252
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1344.659313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.659313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.059313 (E_RNA)
where:
Base-Base interactions energy: -814.423
where: short stacking energy: -321.127
Base-Backbone interact. energy: -3.078
local terms energy: -316.557854
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -65.226
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -53.484
tors. eta vs tors. theta energy: -66.858
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1287.223936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.223936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.623936 (E_RNA)
where:
Base-Base interactions energy: -718.588
where: short stacking energy: -301.792
Base-Backbone interact. energy: -1.759
local terms energy: -356.276724
where:
bonds (distance) C4'-P energy: -68.407
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -55.756
tors. eta vs tors. theta energy: -84.207
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1278.670755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.670755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.670755 (E_RNA)
where:
Base-Base interactions energy: -760.427
where: short stacking energy: -280.609
Base-Backbone interact. energy: -2.295
local terms energy: -317.948808
where:
bonds (distance) C4'-P energy: -61.529
bonds (distance) P-C4' energy: -68.302
flat angles C4'-P-C4' energy: -72.812
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -71.388
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1191.503041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.503041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.103041 (E_RNA)
where:
Base-Base interactions energy: -679.211
where: short stacking energy: -263.678
Base-Backbone interact. energy: 1.553
local terms energy: -301.444724
where:
bonds (distance) C4'-P energy: -57.358
bonds (distance) P-C4' energy: -56.058
flat angles C4'-P-C4' energy: -73.322
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -62.796
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1120.792258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.792258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.792258 (E_RNA)
where:
Base-Base interactions energy: -648.827
where: short stacking energy: -250.349
Base-Backbone interact. energy: 0.189
local terms energy: -274.154420
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -64.510
flat angles C4'-P-C4' energy: -76.221
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -55.722
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1159.757529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.757529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.157529 (E_RNA)
where:
Base-Base interactions energy: -663.241
where: short stacking energy: -261.711
Base-Backbone interact. energy: -3.639
local terms energy: -291.277916
where:
bonds (distance) C4'-P energy: -59.907
bonds (distance) P-C4' energy: -60.448
flat angles C4'-P-C4' energy: -66.233
flat angles P-C4'-P energy: -39.189
tors. eta vs tors. theta energy: -65.500
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -944.644551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.644551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.044551 (E_RNA)
where:
Base-Base interactions energy: -524.917
where: short stacking energy: -209.382
Base-Backbone interact. energy: -1.612
local terms energy: -261.516006
where:
bonds (distance) C4'-P energy: -51.154
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -69.974
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1434.977058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.977058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.577058 (E_RNA)
where:
Base-Base interactions energy: -838.322
where: short stacking energy: -332.492
Base-Backbone interact. energy: -3.981
local terms energy: -389.274666
where:
bonds (distance) C4'-P energy: -73.937
bonds (distance) P-C4' energy: -79.488
flat angles C4'-P-C4' energy: -82.096
flat angles P-C4'-P energy: -62.405
tors. eta vs tors. theta energy: -91.349
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1430.514966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.514966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.714966 (E_RNA)
where:
Base-Base interactions energy: -843.969
where: short stacking energy: -351.678
Base-Backbone interact. energy: -2.194
local terms energy: -375.552537
where:
bonds (distance) C4'-P energy: -66.117
bonds (distance) P-C4' energy: -69.719
flat angles C4'-P-C4' energy: -78.884
flat angles P-C4'-P energy: -59.117
tors. eta vs tors. theta energy: -101.716
Dist. restrs. and SS energy: -208.800 (S_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: 252
Temperature: 1.000000
Total energy: -1420.952314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.952314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.752314 (E_RNA)
where:
Base-Base interactions energy: -847.553
where: short stacking energy: -336.483
Base-Backbone interact. energy: -5.424
local terms energy: -353.775218
where:
bonds (distance) C4'-P energy: -66.598
bonds (distance) P-C4' energy: -71.196
flat angles C4'-P-C4' energy: -77.167
flat angles P-C4'-P energy: -53.809
tors. eta vs tors. theta energy: -85.005
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1340.683121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.683121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.483121 (E_RNA)
where:
Base-Base interactions energy: -796.322
where: short stacking energy: -314.256
Base-Backbone interact. energy: 4.681
local terms energy: -334.842223
where:
bonds (distance) C4'-P energy: -61.866
bonds (distance) P-C4' energy: -70.918
flat angles C4'-P-C4' energy: -77.668
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -76.940
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1310.894187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.894187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.894187 (E_RNA)
where:
Base-Base interactions energy: -783.574
where: short stacking energy: -305.634
Base-Backbone interact. energy: -0.437
local terms energy: -328.883593
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -87.496
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1261.261436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.261436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.261436 (E_RNA)
where:
Base-Base interactions energy: -723.081
where: short stacking energy: -300.238
Base-Backbone interact. energy: -1.839
local terms energy: -329.340486
where:
bonds (distance) C4'-P energy: -73.282
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -73.597
flat angles P-C4'-P energy: -44.388
tors. eta vs tors. theta energy: -72.645
Dist. restrs. and SS energy: -207.000 (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: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1170.127548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.127548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.927548 (E_RNA)
where:
Base-Base interactions energy: -667.698
where: short stacking energy: -251.708
Base-Backbone interact. energy: -2.143
local terms energy: -286.087072
where:
bonds (distance) C4'-P energy: -59.825
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -65.176
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1136.213778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.213778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.413778 (E_RNA)
where:
Base-Base interactions energy: -650.274
where: short stacking energy: -257.222
Base-Backbone interact. energy: -5.123
local terms energy: -281.016696
where:
bonds (distance) C4'-P energy: -60.771
bonds (distance) P-C4' energy: -59.971
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -48.245
Dist. restrs. and SS energy: -199.800 (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: 252
Temperature: 1.300000
Total energy: -1129.922028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.922028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.122028 (E_RNA)
where:
Base-Base interactions energy: -636.322
where: short stacking energy: -258.113
Base-Backbone interact. energy: -3.136
local terms energy: -290.664599
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -56.190
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -66.332
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -971.159813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.159813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.359813 (E_RNA)
where:
Base-Base interactions energy: -533.916
where: short stacking energy: -219.473
Base-Backbone interact. energy: -0.591
local terms energy: -272.852048
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -63.390
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -53.676
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1439.191053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.191053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.791053 (E_RNA)
where:
Base-Base interactions energy: -853.743
where: short stacking energy: -347.599
Base-Backbone interact. energy: -0.981
local terms energy: -381.067164
where:
bonds (distance) C4'-P energy: -72.580
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -80.323
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -100.294
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1426.228126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.228126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.428126 (E_RNA)
where:
Base-Base interactions energy: -845.563
where: short stacking energy: -355.190
Base-Backbone interact. energy: -0.263
local terms energy: -371.602022
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -84.560
flat angles C4'-P-C4' energy: -77.489
flat angles P-C4'-P energy: -43.058
tors. eta vs tors. theta energy: -99.212
Dist. restrs. and SS energy: -208.800 (S_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: 253
Temperature: 1.000000
Total energy: -1402.923900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.923900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.723900 (E_RNA)
where:
Base-Base interactions energy: -854.231
where: short stacking energy: -332.397
Base-Backbone interact. energy: -0.032
local terms energy: -334.460960
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -67.241
flat angles C4'-P-C4' energy: -75.584
flat angles P-C4'-P energy: -54.929
tors. eta vs tors. theta energy: -76.610
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1317.689911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.689911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.089911 (E_RNA)
where:
Base-Base interactions energy: -772.393
where: short stacking energy: -316.411
Base-Backbone interact. energy: 3.283
local terms energy: -337.979986
where:
bonds (distance) C4'-P energy: -64.879
bonds (distance) P-C4' energy: -61.199
flat angles C4'-P-C4' energy: -78.972
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -79.308
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1291.652176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.652176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.652176 (E_RNA)
where:
Base-Base interactions energy: -759.989
where: short stacking energy: -313.421
Base-Backbone interact. energy: -1.960
local terms energy: -331.703142
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -61.706
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1242.204700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.204700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.004700 (E_RNA)
where:
Base-Base interactions energy: -720.096
where: short stacking energy: -282.604
Base-Backbone interact. energy: 1.641
local terms energy: -318.550168
where:
bonds (distance) C4'-P energy: -64.081
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -65.338
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1176.242871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.242871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.242871 (E_RNA)
where:
Base-Base interactions energy: -651.793
where: short stacking energy: -247.044
Base-Backbone interact. energy: 0.872
local terms energy: -309.322177
where:
bonds (distance) C4'-P energy: -61.108
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -67.292
flat angles P-C4'-P energy: -52.634
tors. eta vs tors. theta energy: -61.390
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1118.173265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.173265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.773265 (E_RNA)
where:
Base-Base interactions energy: -664.656
where: short stacking energy: -252.356
Base-Backbone interact. energy: 0.914
local terms energy: -260.030759
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -64.601
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -50.515
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1100.631406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.631406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.831406 (E_RNA)
where:
Base-Base interactions energy: -612.791
where: short stacking energy: -239.449
Base-Backbone interact. energy: -2.564
local terms energy: -285.476008
where:
bonds (distance) C4'-P energy: -61.000
bonds (distance) P-C4' energy: -65.037
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -51.182
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -957.339980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.339980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.339980 (E_RNA)
where:
Base-Base interactions energy: -522.027
where: short stacking energy: -225.674
Base-Backbone interact. energy: -1.682
local terms energy: -271.630500
where:
bonds (distance) C4'-P energy: -66.943
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1446.812416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.812416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.812416 (E_RNA)
where:
Base-Base interactions energy: -863.889
where: short stacking energy: -364.286
Base-Backbone interact. energy: -1.257
local terms energy: -374.666774
where:
bonds (distance) C4'-P energy: -66.348
bonds (distance) P-C4' energy: -79.751
flat angles C4'-P-C4' energy: -78.429
flat angles P-C4'-P energy: -48.581
tors. eta vs tors. theta energy: -101.558
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1424.978642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.978642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.578642 (E_RNA)
where:
Base-Base interactions energy: -843.335
where: short stacking energy: -338.139
Base-Backbone interact. energy: -2.682
local terms energy: -375.562118
where:
bonds (distance) C4'-P energy: -70.307
bonds (distance) P-C4' energy: -75.405
flat angles C4'-P-C4' energy: -82.506
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -94.823
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1417.255457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.255457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.055457 (E_RNA)
where:
Base-Base interactions energy: -848.490
where: short stacking energy: -335.725
Base-Backbone interact. energy: -2.474
local terms energy: -352.091108
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -74.199
flat angles C4'-P-C4' energy: -76.421
flat angles P-C4'-P energy: -52.340
tors. eta vs tors. theta energy: -83.726
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1344.969342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.569342 (E_RNA)
where:
Base-Base interactions energy: -788.015
where: short stacking energy: -299.038
Base-Backbone interact. energy: 2.455
local terms energy: -347.008565
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -75.628
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1299.430293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.430293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.630293 (E_RNA)
where:
Base-Base interactions energy: -746.804
where: short stacking energy: -288.453
Base-Backbone interact. energy: -1.471
local terms energy: -351.355345
where:
bonds (distance) C4'-P energy: -66.745
bonds (distance) P-C4' energy: -75.749
flat angles C4'-P-C4' energy: -79.481
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -83.053
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1226.723936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.723936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.723936 (E_RNA)
where:
Base-Base interactions energy: -715.391
where: short stacking energy: -288.979
Base-Backbone interact. energy: -1.411
local terms energy: -293.921057
where:
bonds (distance) C4'-P energy: -62.879
bonds (distance) P-C4' energy: -59.525
flat angles C4'-P-C4' energy: -63.954
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -71.553
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1184.468374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.468374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.068374 (E_RNA)
where:
Base-Base interactions energy: -685.840
where: short stacking energy: -279.037
Base-Backbone interact. energy: -2.103
local terms energy: -293.126279
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -67.715
flat angles P-C4'-P energy: -44.632
tors. eta vs tors. theta energy: -66.345
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1140.582360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.582360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.182360 (E_RNA)
where:
Base-Base interactions energy: -636.709
where: short stacking energy: -247.978
Base-Backbone interact. energy: -2.870
local terms energy: -288.603523
where:
bonds (distance) C4'-P energy: -66.202
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -61.072
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1100.922287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.922287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.722287 (E_RNA)
where:
Base-Base interactions energy: -625.763
where: short stacking energy: -238.201
Base-Backbone interact. energy: -2.648
local terms energy: -276.310974
where:
bonds (distance) C4'-P energy: -68.712
bonds (distance) P-C4' energy: -51.168
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -928.048503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.048503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.448503 (E_RNA)
where:
Base-Base interactions energy: -552.040
where: short stacking energy: -230.038
Base-Backbone interact. energy: 0.259
local terms energy: -219.667998
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1452.611780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.611780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.811780 (E_RNA)
where:
Base-Base interactions energy: -860.087
where: short stacking energy: -353.661
Base-Backbone interact. energy: -3.473
local terms energy: -380.251910
where:
bonds (distance) C4'-P energy: -67.610
bonds (distance) P-C4' energy: -78.902
flat angles C4'-P-C4' energy: -88.791
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -99.268
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1436.785122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.785122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.985122 (E_RNA)
where:
Base-Base interactions energy: -858.862
where: short stacking energy: -341.594
Base-Backbone interact. energy: -4.214
local terms energy: -364.909693
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -79.499
flat angles P-C4'-P energy: -51.519
tors. eta vs tors. theta energy: -86.475
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1376.911779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.911779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.311779 (E_RNA)
where:
Base-Base interactions energy: -815.918
where: short stacking energy: -323.711
Base-Backbone interact. energy: -2.528
local terms energy: -356.865627
where:
bonds (distance) C4'-P energy: -72.763
bonds (distance) P-C4' energy: -72.371
flat angles C4'-P-C4' energy: -76.791
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -89.031
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1362.463971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.463971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.863971 (E_RNA)
where:
Base-Base interactions energy: -805.634
where: short stacking energy: -310.700
Base-Backbone interact. energy: -2.150
local terms energy: -344.079513
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -73.460
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -55.132
tors. eta vs tors. theta energy: -77.569
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1303.853606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.853606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.653606 (E_RNA)
where:
Base-Base interactions energy: -756.702
where: short stacking energy: -276.260
Base-Backbone interact. energy: 0.417
local terms energy: -351.367760
where:
bonds (distance) C4'-P energy: -70.016
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -58.841
tors. eta vs tors. theta energy: -76.158
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1254.013070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.013070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.813070 (E_RNA)
where:
Base-Base interactions energy: -723.422
where: short stacking energy: -315.550
Base-Backbone interact. energy: -1.053
local terms energy: -324.337795
where:
bonds (distance) C4'-P energy: -60.987
bonds (distance) P-C4' energy: -65.488
flat angles C4'-P-C4' energy: -77.829
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -78.232
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1180.198273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.198273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.998273 (E_RNA)
where:
Base-Base interactions energy: -676.793
where: short stacking energy: -273.753
Base-Backbone interact. energy: -2.332
local terms energy: -295.873859
where:
bonds (distance) C4'-P energy: -48.600
bonds (distance) P-C4' energy: -66.732
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: -69.743
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1163.816112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.816112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.416112 (E_RNA)
where:
Base-Base interactions energy: -670.090
where: short stacking energy: -260.950
Base-Backbone interact. energy: 8.420
local terms energy: -298.745921
where:
bonds (distance) C4'-P energy: -59.691
bonds (distance) P-C4' energy: -63.230
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -52.707
tors. eta vs tors. theta energy: -61.366
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1096.403010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.403010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.603010 (E_RNA)
where:
Base-Base interactions energy: -657.377
where: short stacking energy: -252.343
Base-Backbone interact. energy: 1.814
local terms energy: -241.040441
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -55.135
flat angles C4'-P-C4' energy: -58.596
flat angles P-C4'-P energy: -26.444
tors. eta vs tors. theta energy: -52.962
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -938.406712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.406712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.006712 (E_RNA)
where:
Base-Base interactions energy: -519.378
where: short stacking energy: -194.514
Base-Backbone interact. energy: 2.972
local terms energy: -263.600432
where:
bonds (distance) C4'-P energy: -61.497
bonds (distance) P-C4' energy: -57.970
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -36.773
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1463.659343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.659343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.659343 (E_RNA)
where:
Base-Base interactions energy: -887.381
where: short stacking energy: -360.492
Base-Backbone interact. energy: 0.742
local terms energy: -370.020753
where:
bonds (distance) C4'-P energy: -65.424
bonds (distance) P-C4' energy: -73.446
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -97.669
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1435.944265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.944265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.744265 (E_RNA)
where:
Base-Base interactions energy: -873.528
where: short stacking energy: -341.849
Base-Backbone interact. energy: -4.113
local terms energy: -344.103713
where:
bonds (distance) C4'-P energy: -64.250
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -83.361
flat angles P-C4'-P energy: -48.889
tors. eta vs tors. theta energy: -86.460
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1390.458664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.458664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.858664 (E_RNA)
where:
Base-Base interactions energy: -861.036
where: short stacking energy: -352.585
Base-Backbone interact. energy: -2.193
local terms energy: -325.630518
where:
bonds (distance) C4'-P energy: -52.687
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -81.431
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -85.828
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1323.575092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.575092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.775092 (E_RNA)
where:
Base-Base interactions energy: -768.456
where: short stacking energy: -299.007
Base-Backbone interact. energy: -1.703
local terms energy: -335.616255
where:
bonds (distance) C4'-P energy: -68.146
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -81.551
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1314.990149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.990149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.390149 (E_RNA)
where:
Base-Base interactions energy: -787.279
where: short stacking energy: -306.156
Base-Backbone interact. energy: 2.383
local terms energy: -337.493702
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -75.142
flat angles C4'-P-C4' energy: -73.107
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: -80.436
Dist. restrs. and SS energy: -192.600 (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: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1253.015832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.015832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.015832 (E_RNA)
where:
Base-Base interactions energy: -740.614
where: short stacking energy: -295.774
Base-Backbone interact. energy: 3.109
local terms energy: -299.511231
where:
bonds (distance) C4'-P energy: -56.188
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -38.804
tors. eta vs tors. theta energy: -72.193
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1176.545740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.545740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.745740 (E_RNA)
where:
Base-Base interactions energy: -687.787
where: short stacking energy: -272.173
Base-Backbone interact. energy: 1.797
local terms energy: -281.755576
where:
bonds (distance) C4'-P energy: -65.438
bonds (distance) P-C4' energy: -60.281
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -39.918
tors. eta vs tors. theta energy: -55.823
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1192.092607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.092607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.692607 (E_RNA)
where:
Base-Base interactions energy: -674.025
where: short stacking energy: -270.536
Base-Backbone interact. energy: -1.170
local terms energy: -304.497129
where:
bonds (distance) C4'-P energy: -67.810
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -61.931
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1138.095947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.095947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.495947 (E_RNA)
where:
Base-Base interactions energy: -661.526
where: short stacking energy: -254.550
Base-Backbone interact. energy: -1.057
local terms energy: -282.913251
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -68.682
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -920.605362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.605362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.605362 (E_RNA)
where:
Base-Base interactions energy: -526.007
where: short stacking energy: -206.197
Base-Backbone interact. energy: 3.768
local terms energy: -236.366141
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -38.699
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1469.721124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.721124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.721124 (E_RNA)
where:
Base-Base interactions energy: -888.562
where: short stacking energy: -371.215
Base-Backbone interact. energy: -2.308
local terms energy: -371.850917
where:
bonds (distance) C4'-P energy: -62.669
bonds (distance) P-C4' energy: -68.718
flat angles C4'-P-C4' energy: -87.311
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -103.277
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1411.424997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.424997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.824997 (E_RNA)
where:
Base-Base interactions energy: -846.946
where: short stacking energy: -342.042
Base-Backbone interact. energy: -1.995
local terms energy: -351.883361
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -81.454
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -94.471
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1401.804603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.804603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.404603 (E_RNA)
where:
Base-Base interactions energy: -847.573
where: short stacking energy: -348.201
Base-Backbone interact. energy: -1.259
local terms energy: -349.571707
where:
bonds (distance) C4'-P energy: -77.447
bonds (distance) P-C4' energy: -64.066
flat angles C4'-P-C4' energy: -77.299
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -85.020
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1315.798044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.798044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.598044 (E_RNA)
where:
Base-Base interactions energy: -788.378
where: short stacking energy: -304.233
Base-Backbone interact. energy: 1.782
local terms energy: -333.002026
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -65.879
flat angles C4'-P-C4' energy: -80.820
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -77.629
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1309.585024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.585024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.185024 (E_RNA)
where:
Base-Base interactions energy: -757.156
where: short stacking energy: -306.240
Base-Backbone interact. energy: -0.314
local terms energy: -330.715324
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -68.889
flat angles C4'-P-C4' energy: -69.489
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: -221.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1273.675014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.675014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.275014 (E_RNA)
where:
Base-Base interactions energy: -735.328
where: short stacking energy: -314.071
Base-Backbone interact. energy: 2.227
local terms energy: -328.174389
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -65.882
flat angles C4'-P-C4' energy: -75.990
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -75.393
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1199.720849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.720849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.920849 (E_RNA)
where:
Base-Base interactions energy: -689.909
where: short stacking energy: -279.765
Base-Backbone interact. energy: -1.791
local terms energy: -290.220242
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -68.752
flat angles P-C4'-P energy: -50.198
tors. eta vs tors. theta energy: -60.604
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1173.285831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.285831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.485831 (E_RNA)
where:
Base-Base interactions energy: -673.094
where: short stacking energy: -264.182
Base-Backbone interact. energy: -2.718
local terms energy: -288.673606
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -57.398
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -51.080
tors. eta vs tors. theta energy: -66.673
Dist. restrs. and SS energy: -208.800 (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: 257
Temperature: 1.300000
Total energy: -1123.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.435860 (E_RNA)
where:
Base-Base interactions energy: -617.123
where: short stacking energy: -233.721
Base-Backbone interact. energy: 1.219
local terms energy: -305.532229
where:
bonds (distance) C4'-P energy: -53.245
bonds (distance) P-C4' energy: -73.240
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -63.789
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -978.397778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.397778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.397778 (E_RNA)
where:
Base-Base interactions energy: -547.363
where: short stacking energy: -227.501
Base-Backbone interact. energy: -0.814
local terms energy: -277.220853
where:
bonds (distance) C4'-P energy: -56.881
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -48.875
tors. eta vs tors. theta energy: -40.892
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1478.256922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.256922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.856922 (E_RNA)
where:
Base-Base interactions energy: -901.858
where: short stacking energy: -367.573
Base-Backbone interact. energy: 1.857
local terms energy: -374.856033
where:
bonds (distance) C4'-P energy: -67.961
bonds (distance) P-C4' energy: -79.888
flat angles C4'-P-C4' energy: -80.460
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -101.524
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1446.451111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.451111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.451111 (E_RNA)
where:
Base-Base interactions energy: -860.976
where: short stacking energy: -348.167
Base-Backbone interact. energy: -4.530
local terms energy: -364.945636
where:
bonds (distance) C4'-P energy: -69.956
bonds (distance) P-C4' energy: -66.150
flat angles C4'-P-C4' energy: -83.575
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -87.905
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1366.749295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.749295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.149295 (E_RNA)
where:
Base-Base interactions energy: -827.086
where: short stacking energy: -346.011
Base-Backbone interact. energy: 2.493
local terms energy: -340.556239
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -81.609
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -54.810
tors. eta vs tors. theta energy: -82.052
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1341.797579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.797579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.197579 (E_RNA)
where:
Base-Base interactions energy: -796.999
where: short stacking energy: -326.306
Base-Backbone interact. energy: -0.938
local terms energy: -342.259974
where:
bonds (distance) C4'-P energy: -70.838
bonds (distance) P-C4' energy: -67.018
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -50.218
tors. eta vs tors. theta energy: -78.806
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1305.770864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.770864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.970864 (E_RNA)
where:
Base-Base interactions energy: -746.343
where: short stacking energy: -304.946
Base-Backbone interact. energy: -2.466
local terms energy: -339.161154
where:
bonds (distance) C4'-P energy: -71.757
bonds (distance) P-C4' energy: -62.965
flat angles C4'-P-C4' energy: -71.874
flat angles P-C4'-P energy: -51.691
tors. eta vs tors. theta energy: -80.874
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1251.445082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.445082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.045082 (E_RNA)
where:
Base-Base interactions energy: -716.621
where: short stacking energy: -270.618
Base-Backbone interact. energy: -4.454
local terms energy: -317.970591
where:
bonds (distance) C4'-P energy: -69.068
bonds (distance) P-C4' energy: -60.769
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -74.766
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1217.569049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.569049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.969049 (E_RNA)
where:
Base-Base interactions energy: -669.040
where: short stacking energy: -263.141
Base-Backbone interact. energy: 0.420
local terms energy: -338.349290
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -75.621
flat angles C4'-P-C4' energy: -76.398
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -73.486
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1183.234432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.234432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.834432 (E_RNA)
where:
Base-Base interactions energy: -680.906
where: short stacking energy: -265.133
Base-Backbone interact. energy: -1.338
local terms energy: -297.590981
where:
bonds (distance) C4'-P energy: -54.559
bonds (distance) P-C4' energy: -58.684
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -42.707
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1109.940084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.940084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.740084 (E_RNA)
where:
Base-Base interactions energy: -637.066
where: short stacking energy: -266.631
Base-Backbone interact. energy: 0.623
local terms energy: -277.297284
where:
bonds (distance) C4'-P energy: -64.316
bonds (distance) P-C4' energy: -53.664
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -29.606
tors. eta vs tors. theta energy: -73.895
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -926.590374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.590374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.590374 (E_RNA)
where:
Base-Base interactions energy: -508.690
where: short stacking energy: -192.903
Base-Backbone interact. energy: -0.395
local terms energy: -255.505269
where:
bonds (distance) C4'-P energy: -47.773
bonds (distance) P-C4' energy: -66.762
flat angles C4'-P-C4' energy: -63.862
flat angles P-C4'-P energy: -38.861
tors. eta vs tors. theta energy: -38.247
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1452.833245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.833245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.633245 (E_RNA)
where:
Base-Base interactions energy: -878.927
where: short stacking energy: -360.511
Base-Backbone interact. energy: -0.592
local terms energy: -368.114608
where:
bonds (distance) C4'-P energy: -75.176
bonds (distance) P-C4' energy: -65.771
flat angles C4'-P-C4' energy: -84.577
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -94.757
Dist. restrs. and SS energy: -205.200 (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: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1434.993615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.993615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.793615 (E_RNA)
where:
Base-Base interactions energy: -846.980
where: short stacking energy: -340.103
Base-Backbone interact. energy: -2.428
local terms energy: -371.386195
where:
bonds (distance) C4'-P energy: -70.756
bonds (distance) P-C4' energy: -72.407
flat angles C4'-P-C4' energy: -76.763
flat angles P-C4'-P energy: -57.066
tors. eta vs tors. theta energy: -94.394
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1374.534475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.534475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.934475 (E_RNA)
where:
Base-Base interactions energy: -813.298
where: short stacking energy: -325.494
Base-Backbone interact. energy: -1.763
local terms energy: -357.873490
where:
bonds (distance) C4'-P energy: -66.589
bonds (distance) P-C4' energy: -72.412
flat angles C4'-P-C4' energy: -81.458
flat angles P-C4'-P energy: -52.359
tors. eta vs tors. theta energy: -85.055
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1335.361964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.361964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.561964 (E_RNA)
where:
Base-Base interactions energy: -808.926
where: short stacking energy: -316.119
Base-Backbone interact. energy: -1.984
local terms energy: -324.651412
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -71.310
flat angles P-C4'-P energy: -53.890
tors. eta vs tors. theta energy: -81.872
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1285.598487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.598487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.598487 (E_RNA)
where:
Base-Base interactions energy: -743.611
where: short stacking energy: -293.933
Base-Backbone interact. energy: -2.731
local terms energy: -323.256407
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -62.079
flat angles C4'-P-C4' energy: -73.545
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -80.418
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1235.180455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.180455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.980455 (E_RNA)
where:
Base-Base interactions energy: -694.271
where: short stacking energy: -284.087
Base-Backbone interact. energy: -1.465
local terms energy: -325.243991
where:
bonds (distance) C4'-P energy: -71.663
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -68.873
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -83.086
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1173.227396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.227396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.827396 (E_RNA)
where:
Base-Base interactions energy: -683.249
where: short stacking energy: -267.744
Base-Backbone interact. energy: -0.508
local terms energy: -277.070187
where:
bonds (distance) C4'-P energy: -63.685
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -61.965
flat angles P-C4'-P energy: -41.288
tors. eta vs tors. theta energy: -56.093
Dist. restrs. and SS energy: -212.400 (S_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: 259
Temperature: 1.250000
Total energy: -1154.252514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.252514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.652514 (E_RNA)
where:
Base-Base interactions energy: -655.702
where: short stacking energy: -271.471
Base-Backbone interact. energy: -2.284
local terms energy: -294.667020
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -67.146
flat angles C4'-P-C4' energy: -69.996
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1161.409222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.409222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.209222 (E_RNA)
where:
Base-Base interactions energy: -672.908
where: short stacking energy: -256.499
Base-Backbone interact. energy: 0.952
local terms energy: -275.253315
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -56.146
flat angles C4'-P-C4' energy: -69.894
flat angles P-C4'-P energy: -33.106
tors. eta vs tors. theta energy: -55.185
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -967.568144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.568144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.968144 (E_RNA)
where:
Base-Base interactions energy: -541.954
where: short stacking energy: -210.687
Base-Backbone interact. energy: -2.827
local terms energy: -257.186818
where:
bonds (distance) C4'-P energy: -66.581
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -62.542
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1459.417516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.417516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.617516 (E_RNA)
where:
Base-Base interactions energy: -887.631
where: short stacking energy: -352.839
Base-Backbone interact. energy: 0.151
local terms energy: -372.138283
where:
bonds (distance) C4'-P energy: -72.662
bonds (distance) P-C4' energy: -71.839
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -46.184
tors. eta vs tors. theta energy: -100.508
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1423.541477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.541477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.341477 (E_RNA)
where:
Base-Base interactions energy: -847.993
where: short stacking energy: -332.668
Base-Backbone interact. energy: 0.072
local terms energy: -361.420426
where:
bonds (distance) C4'-P energy: -75.411
bonds (distance) P-C4' energy: -64.765
flat angles C4'-P-C4' energy: -76.586
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1374.796640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.796640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.196640 (E_RNA)
where:
Base-Base interactions energy: -830.277
where: short stacking energy: -331.410
Base-Backbone interact. energy: -1.903
local terms energy: -341.016306
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -79.838
flat angles P-C4'-P energy: -51.759
tors. eta vs tors. theta energy: -91.021
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1332.551282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.551282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.751282 (E_RNA)
where:
Base-Base interactions energy: -805.314
where: short stacking energy: -310.774
Base-Backbone interact. energy: -0.973
local terms energy: -326.463833
where:
bonds (distance) C4'-P energy: -54.020
bonds (distance) P-C4' energy: -68.415
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -81.130
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1302.514946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.514946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.314946 (E_RNA)
where:
Base-Base interactions energy: -753.394
where: short stacking energy: -312.268
Base-Backbone interact. energy: -1.011
local terms energy: -333.909995
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -68.434
flat angles P-C4'-P energy: -54.014
tors. eta vs tors. theta energy: -82.411
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1216.695896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.695896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.495896 (E_RNA)
where:
Base-Base interactions energy: -697.437
where: short stacking energy: -285.171
Base-Backbone interact. energy: 2.326
local terms energy: -307.384675
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -60.074
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: -83.624
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1217.796238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.796238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.596238 (E_RNA)
where:
Base-Base interactions energy: -711.987
where: short stacking energy: -288.553
Base-Backbone interact. energy: -0.084
local terms energy: -309.525093
where:
bonds (distance) C4'-P energy: -68.834
bonds (distance) P-C4' energy: -61.069
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: -70.870
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1152.605221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.605221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.205221 (E_RNA)
where:
Base-Base interactions energy: -679.695
where: short stacking energy: -256.893
Base-Backbone interact. energy: 1.272
local terms energy: -261.782410
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -63.343
flat angles C4'-P-C4' energy: -57.548
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -45.446
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1145.506158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.506158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.306158 (E_RNA)
where:
Base-Base interactions energy: -671.092
where: short stacking energy: -234.518
Base-Backbone interact. energy: -1.600
local terms energy: -267.614211
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -66.898
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -51.136
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -918.761909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.761909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.561909 (E_RNA)
where:
Base-Base interactions energy: -512.334
where: short stacking energy: -205.855
Base-Backbone interact. energy: 3.378
local terms energy: -249.605639
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -51.726
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1485.713186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.713186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.913186 (E_RNA)
where:
Base-Base interactions energy: -894.620
where: short stacking energy: -350.781
Base-Backbone interact. energy: -1.587
local terms energy: -380.705867
where:
bonds (distance) C4'-P energy: -72.949
bonds (distance) P-C4' energy: -67.811
flat angles C4'-P-C4' energy: -86.021
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -101.742
Dist. restrs. and SS energy: -208.800 (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: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1408.693349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.693349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.693349 (E_RNA)
where:
Base-Base interactions energy: -837.858
where: short stacking energy: -326.191
Base-Backbone interact. energy: -0.399
local terms energy: -354.436938
where:
bonds (distance) C4'-P energy: -81.616
bonds (distance) P-C4' energy: -70.543
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: -82.835
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1382.869256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.869256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.069256 (E_RNA)
where:
Base-Base interactions energy: -816.347
where: short stacking energy: -324.837
Base-Backbone interact. energy: -2.078
local terms energy: -364.644049
where:
bonds (distance) C4'-P energy: -82.901
bonds (distance) P-C4' energy: -72.562
flat angles C4'-P-C4' energy: -74.367
flat angles P-C4'-P energy: -53.014
tors. eta vs tors. theta energy: -81.799
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1333.481138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.481138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.281138 (E_RNA)
where:
Base-Base interactions energy: -818.238
where: short stacking energy: -321.632
Base-Backbone interact. energy: -0.142
local terms energy: -318.900543
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -87.156
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1321.658725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.658725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.458725 (E_RNA)
where:
Base-Base interactions energy: -760.501
where: short stacking energy: -314.384
Base-Backbone interact. energy: -2.176
local terms energy: -344.782015
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -59.027
flat angles C4'-P-C4' energy: -70.895
flat angles P-C4'-P energy: -55.600
tors. eta vs tors. theta energy: -93.752
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1235.565872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.565872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.765872 (E_RNA)
where:
Base-Base interactions energy: -727.993
where: short stacking energy: -291.632
Base-Backbone interact. energy: -4.595
local terms energy: -303.178239
where:
bonds (distance) C4'-P energy: -52.500
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -73.716
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: -76.811
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1186.294333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.294333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.494333 (E_RNA)
where:
Base-Base interactions energy: -658.859
where: short stacking energy: -251.526
Base-Backbone interact. energy: -0.208
local terms energy: -309.427543
where:
bonds (distance) C4'-P energy: -57.822
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -61.258
flat angles P-C4'-P energy: -54.038
tors. eta vs tors. theta energy: -69.494
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1196.862954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.862954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.062954 (E_RNA)
where:
Base-Base interactions energy: -685.519
where: short stacking energy: -276.119
Base-Backbone interact. energy: -2.173
local terms energy: -300.370992
where:
bonds (distance) C4'-P energy: -63.414
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -71.100
flat angles P-C4'-P energy: -38.092
tors. eta vs tors. theta energy: -72.228
Dist. restrs. and SS energy: -208.800 (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: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1164.004309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.604309 (E_RNA)
where:
Base-Base interactions energy: -674.737
where: short stacking energy: -272.743
Base-Backbone interact. energy: 2.864
local terms energy: -279.730720
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -60.743
flat angles C4'-P-C4' energy: -74.343
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -45.497
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -917.075795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.075795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.675795 (E_RNA)
where:
Base-Base interactions energy: -505.315
where: short stacking energy: -210.140
Base-Backbone interact. energy: -0.206
local terms energy: -253.154486
where:
bonds (distance) C4'-P energy: -51.279
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -71.944
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -38.941
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1476.564762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.564762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.764762 (E_RNA)
where:
Base-Base interactions energy: -889.453
where: short stacking energy: -359.903
Base-Backbone interact. energy: -1.673
local terms energy: -385.638144
where:
bonds (distance) C4'-P energy: -66.264
bonds (distance) P-C4' energy: -82.402
flat angles C4'-P-C4' energy: -86.184
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: -95.708
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1403.115127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.115127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.115127 (E_RNA)
where:
Base-Base interactions energy: -825.582
where: short stacking energy: -337.635
Base-Backbone interact. energy: -2.800
local terms energy: -358.732793
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -71.750
flat angles C4'-P-C4' energy: -83.846
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -85.443
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1356.398369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.398369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.798369 (E_RNA)
where:
Base-Base interactions energy: -814.254
where: short stacking energy: -334.658
Base-Backbone interact. energy: -2.680
local terms energy: -337.864205
where:
bonds (distance) C4'-P energy: -66.933
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -87.064
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1352.095035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.095035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.295035 (E_RNA)
where:
Base-Base interactions energy: -818.214
where: short stacking energy: -314.442
Base-Backbone interact. energy: -0.282
local terms energy: -333.798746
where:
bonds (distance) C4'-P energy: -70.624
bonds (distance) P-C4' energy: -72.683
flat angles C4'-P-C4' energy: -65.437
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -78.861
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1311.971564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.971564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.771564 (E_RNA)
where:
Base-Base interactions energy: -776.765
where: short stacking energy: -315.318
Base-Backbone interact. energy: -2.620
local terms energy: -318.385843
where:
bonds (distance) C4'-P energy: -62.838
bonds (distance) P-C4' energy: -57.696
flat angles C4'-P-C4' energy: -76.139
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -79.889
Dist. restrs. and SS energy: -214.200 (S_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: 262
Temperature: 1.150000
Total energy: -1271.625293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.625293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.225293 (E_RNA)
where:
Base-Base interactions energy: -747.673
where: short stacking energy: -300.668
Base-Backbone interact. energy: -2.537
local terms energy: -318.015313
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -63.828
flat angles C4'-P-C4' energy: -77.102
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -82.702
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1216.277893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.277893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.877893 (E_RNA)
where:
Base-Base interactions energy: -698.744
where: short stacking energy: -274.099
Base-Backbone interact. energy: -1.621
local terms energy: -303.513063
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -53.804
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -51.701
tors. eta vs tors. theta energy: -61.041
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1180.589010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.589010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.589010 (E_RNA)
where:
Base-Base interactions energy: -688.074
where: short stacking energy: -270.295
Base-Backbone interact. energy: 0.979
local terms energy: -277.494663
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -63.011
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -58.555
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1153.320327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.320327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.520327 (E_RNA)
where:
Base-Base interactions energy: -666.023
where: short stacking energy: -278.986
Base-Backbone interact. energy: -1.691
local terms energy: -276.805914
where:
bonds (distance) C4'-P energy: -45.325
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -63.394
flat angles P-C4'-P energy: -38.669
tors. eta vs tors. theta energy: -66.749
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -900.145177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.145177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.545177 (E_RNA)
where:
Base-Base interactions energy: -495.394
where: short stacking energy: -193.853
Base-Backbone interact. energy: 0.444
local terms energy: -248.595930
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -29.948
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1487.259585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.259585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.259585 (E_RNA)
where:
Base-Base interactions energy: -895.503
where: short stacking energy: -358.459
Base-Backbone interact. energy: -2.431
local terms energy: -382.325096
where:
bonds (distance) C4'-P energy: -81.134
bonds (distance) P-C4' energy: -76.268
flat angles C4'-P-C4' energy: -87.972
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -97.710
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1411.776811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.776811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.176811 (E_RNA)
where:
Base-Base interactions energy: -823.090
where: short stacking energy: -341.705
Base-Backbone interact. energy: -1.050
local terms energy: -377.036593
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -84.108
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -92.721
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1399.283566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.283566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.283566 (E_RNA)
where:
Base-Base interactions energy: -829.896
where: short stacking energy: -344.991
Base-Backbone interact. energy: -1.281
local terms energy: -361.106673
where:
bonds (distance) C4'-P energy: -78.295
bonds (distance) P-C4' energy: -62.808
flat angles C4'-P-C4' energy: -78.220
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: -94.459
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1332.161512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.161512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.361512 (E_RNA)
where:
Base-Base interactions energy: -812.232
where: short stacking energy: -321.365
Base-Backbone interact. energy: -1.818
local terms energy: -318.311789
where:
bonds (distance) C4'-P energy: -60.484
bonds (distance) P-C4' energy: -62.422
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -83.886
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1297.990888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.990888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.990888 (E_RNA)
where:
Base-Base interactions energy: -750.493
where: short stacking energy: -306.563
Base-Backbone interact. energy: -0.623
local terms energy: -330.875181
where:
bonds (distance) C4'-P energy: -64.542
bonds (distance) P-C4' energy: -69.422
flat angles C4'-P-C4' energy: -78.303
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -81.139
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1259.439708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.439708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.439708 (E_RNA)
where:
Base-Base interactions energy: -725.280
where: short stacking energy: -294.304
Base-Backbone interact. energy: -0.309
local terms energy: -317.850604
where:
bonds (distance) C4'-P energy: -66.328
bonds (distance) P-C4' energy: -68.892
flat angles C4'-P-C4' energy: -66.962
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -70.800
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1193.779450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.779450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.179450 (E_RNA)
where:
Base-Base interactions energy: -678.581
where: short stacking energy: -264.539
Base-Backbone interact. energy: -0.088
local terms energy: -313.510329
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -62.774
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -67.783
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1181.361500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.361500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.161500 (E_RNA)
where:
Base-Base interactions energy: -676.960
where: short stacking energy: -263.510
Base-Backbone interact. energy: 0.749
local terms energy: -290.950803
where:
bonds (distance) C4'-P energy: -69.062
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -65.733
flat angles P-C4'-P energy: -41.681
tors. eta vs tors. theta energy: -60.114
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1112.966947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.966947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.366947 (E_RNA)
where:
Base-Base interactions energy: -619.175
where: short stacking energy: -248.016
Base-Backbone interact. energy: -1.889
local terms energy: -290.302834
where:
bonds (distance) C4'-P energy: -61.871
bonds (distance) P-C4' energy: -70.234
flat angles C4'-P-C4' energy: -73.750
flat angles P-C4'-P energy: -41.492
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -924.531310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.531310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.931310 (E_RNA)
where:
Base-Base interactions energy: -534.444
where: short stacking energy: -231.547
Base-Backbone interact. energy: -0.742
local terms energy: -232.745758
where:
bonds (distance) C4'-P energy: -46.738
bonds (distance) P-C4' energy: -57.376
flat angles C4'-P-C4' energy: -53.541
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -46.083
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1488.586350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.586350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.586350 (E_RNA)
where:
Base-Base interactions energy: -906.429
where: short stacking energy: -350.429
Base-Backbone interact. energy: -3.490
local terms energy: -371.667744
where:
bonds (distance) C4'-P energy: -74.650
bonds (distance) P-C4' energy: -69.189
flat angles C4'-P-C4' energy: -78.823
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -97.796
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1396.660714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.660714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.660714 (E_RNA)
where:
Base-Base interactions energy: -807.687
where: short stacking energy: -317.554
Base-Backbone interact. energy: -4.649
local terms energy: -368.324325
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -78.643
flat angles C4'-P-C4' energy: -84.434
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -90.884
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1373.795765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.795765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.595765 (E_RNA)
where:
Base-Base interactions energy: -827.422
where: short stacking energy: -335.150
Base-Backbone interact. energy: 4.699
local terms energy: -354.872885
where:
bonds (distance) C4'-P energy: -76.382
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -86.157
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1346.168265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.168265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.768265 (E_RNA)
where:
Base-Base interactions energy: -821.818
where: short stacking energy: -321.648
Base-Backbone interact. energy: -0.058
local terms energy: -329.892439
where:
bonds (distance) C4'-P energy: -61.846
bonds (distance) P-C4' energy: -71.061
flat angles C4'-P-C4' energy: -80.858
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -79.942
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1309.247680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.247680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.047680 (E_RNA)
where:
Base-Base interactions energy: -758.326
where: short stacking energy: -315.981
Base-Backbone interact. energy: 0.005
local terms energy: -336.726535
where:
bonds (distance) C4'-P energy: -69.196
bonds (distance) P-C4' energy: -54.822
flat angles C4'-P-C4' energy: -73.944
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1273.472428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.472428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.272428 (E_RNA)
where:
Base-Base interactions energy: -740.722
where: short stacking energy: -292.374
Base-Backbone interact. energy: 0.717
local terms energy: -319.266709
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -61.360
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: -77.893
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1187.996196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.996196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.996196 (E_RNA)
where:
Base-Base interactions energy: -693.220
where: short stacking energy: -269.271
Base-Backbone interact. energy: -2.687
local terms energy: -294.089158
where:
bonds (distance) C4'-P energy: -64.946
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -67.482
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -62.697
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1182.103840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.103840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.303840 (E_RNA)
where:
Base-Base interactions energy: -686.295
where: short stacking energy: -267.409
Base-Backbone interact. energy: -2.459
local terms energy: -293.549519
where:
bonds (distance) C4'-P energy: -54.939
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -64.819
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -65.297
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1145.789920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.789920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.789920 (E_RNA)
where:
Base-Base interactions energy: -687.679
where: short stacking energy: -279.907
Base-Backbone interact. energy: -2.025
local terms energy: -249.085530
where:
bonds (distance) C4'-P energy: -41.346
bonds (distance) P-C4' energy: -51.357
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -38.034
tors. eta vs tors. theta energy: -58.694
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -901.799791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.799791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.799791 (E_RNA)
where:
Base-Base interactions energy: -493.052
where: short stacking energy: -208.193
Base-Backbone interact. energy: 2.266
local terms energy: -249.013711
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -38.769
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1486.681158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.681158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.281158 (E_RNA)
where:
Base-Base interactions energy: -902.464
where: short stacking energy: -359.404
Base-Backbone interact. energy: -3.634
local terms energy: -377.182301
where:
bonds (distance) C4'-P energy: -67.387
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -103.609
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1408.363621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.363621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.963621 (E_RNA)
where:
Base-Base interactions energy: -836.518
where: short stacking energy: -347.245
Base-Backbone interact. energy: -1.823
local terms energy: -366.623030
where:
bonds (distance) C4'-P energy: -63.695
bonds (distance) P-C4' energy: -71.705
flat angles C4'-P-C4' energy: -82.522
flat angles P-C4'-P energy: -56.048
tors. eta vs tors. theta energy: -92.652
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1376.387074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.387074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.987074 (E_RNA)
where:
Base-Base interactions energy: -802.213
where: short stacking energy: -319.898
Base-Backbone interact. energy: 1.082
local terms energy: -353.856458
where:
bonds (distance) C4'-P energy: -75.804
bonds (distance) P-C4' energy: -69.156
flat angles C4'-P-C4' energy: -77.076
flat angles P-C4'-P energy: -46.839
tors. eta vs tors. theta energy: -84.982
Dist. restrs. and SS energy: -221.400 (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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1347.947585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.947585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.347585 (E_RNA)
where:
Base-Base interactions energy: -804.869
where: short stacking energy: -321.451
Base-Backbone interact. energy: -2.050
local terms energy: -339.427961
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -69.620
flat angles C4'-P-C4' energy: -74.832
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -80.820
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1280.850305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.850305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.050305 (E_RNA)
where:
Base-Base interactions energy: -748.264
where: short stacking energy: -311.794
Base-Backbone interact. energy: -0.075
local terms energy: -323.711420
where:
bonds (distance) C4'-P energy: -67.955
bonds (distance) P-C4' energy: -59.470
flat angles C4'-P-C4' energy: -67.614
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -82.782
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1264.044264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.044264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.044264 (E_RNA)
where:
Base-Base interactions energy: -732.056
where: short stacking energy: -302.097
Base-Backbone interact. energy: -1.059
local terms energy: -314.929397
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -63.958
flat angles C4'-P-C4' energy: -76.884
flat angles P-C4'-P energy: -42.918
tors. eta vs tors. theta energy: -73.257
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1198.157195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.157195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.157195 (E_RNA)
where:
Base-Base interactions energy: -696.734
where: short stacking energy: -266.951
Base-Backbone interact. energy: -0.272
local terms energy: -294.151765
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -65.225
flat angles C4'-P-C4' energy: -65.314
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -60.722
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1155.042670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.042670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.842670 (E_RNA)
where:
Base-Base interactions energy: -665.366
where: short stacking energy: -267.160
Base-Backbone interact. energy: -1.051
local terms energy: -292.425886
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -72.804
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -53.654
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1127.981964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.981964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.781964 (E_RNA)
where:
Base-Base interactions energy: -634.936
where: short stacking energy: -249.111
Base-Backbone interact. energy: 1.094
local terms energy: -288.940133
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -72.076
flat angles C4'-P-C4' energy: -64.537
flat angles P-C4'-P energy: -33.873
tors. eta vs tors. theta energy: -53.809
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -925.702277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.702277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.702277 (E_RNA)
where:
Base-Base interactions energy: -527.347
where: short stacking energy: -231.924
Base-Backbone interact. energy: -3.242
local terms energy: -233.112869
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -61.253
flat angles C4'-P-C4' energy: -59.666
flat angles P-C4'-P energy: -30.482
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1474.758558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.758558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.558558 (E_RNA)
where:
Base-Base interactions energy: -888.067
where: short stacking energy: -358.436
Base-Backbone interact. energy: -3.986
local terms energy: -377.505560
where:
bonds (distance) C4'-P energy: -70.816
bonds (distance) P-C4' energy: -69.999
flat angles C4'-P-C4' energy: -83.276
flat angles P-C4'-P energy: -54.482
tors. eta vs tors. theta energy: -98.933
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1413.469515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.469515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.669515 (E_RNA)
where:
Base-Base interactions energy: -833.745
where: short stacking energy: -344.756
Base-Backbone interact. energy: -1.496
local terms energy: -369.428636
where:
bonds (distance) C4'-P energy: -68.498
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -86.993
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -89.772
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1372.142207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.142207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.342207 (E_RNA)
where:
Base-Base interactions energy: -823.705
where: short stacking energy: -318.922
Base-Backbone interact. energy: -0.339
local terms energy: -348.297838
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -70.117
flat angles C4'-P-C4' energy: -74.901
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: -80.238
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1352.194420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.194420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.394420 (E_RNA)
where:
Base-Base interactions energy: -806.996
where: short stacking energy: -315.944
Base-Backbone interact. energy: -0.041
local terms energy: -327.357993
where:
bonds (distance) C4'-P energy: -60.881
bonds (distance) P-C4' energy: -66.884
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -82.515
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1267.379158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.379158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.379158 (E_RNA)
where:
Base-Base interactions energy: -722.813
where: short stacking energy: -300.184
Base-Backbone interact. energy: -0.560
local terms energy: -328.006178
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -70.253
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -85.977
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1280.683203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.683203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.283203 (E_RNA)
where:
Base-Base interactions energy: -755.483
where: short stacking energy: -300.293
Base-Backbone interact. energy: 1.109
local terms energy: -322.909255
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -65.841
flat angles C4'-P-C4' energy: -70.696
flat angles P-C4'-P energy: -46.700
tors. eta vs tors. theta energy: -74.830
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1176.680473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.680473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.480473 (E_RNA)
where:
Base-Base interactions energy: -686.661
where: short stacking energy: -272.532
Base-Backbone interact. energy: -1.448
local terms energy: -292.371708
where:
bonds (distance) C4'-P energy: -63.682
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -69.763
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -69.085
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1150.446669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.446669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.046669 (E_RNA)
where:
Base-Base interactions energy: -656.545
where: short stacking energy: -263.608
Base-Backbone interact. energy: -0.110
local terms energy: -290.391315
where:
bonds (distance) C4'-P energy: -64.236
bonds (distance) P-C4' energy: -64.662
flat angles C4'-P-C4' energy: -60.295
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: -56.017
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1129.911631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.911631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.111631 (E_RNA)
where:
Base-Base interactions energy: -641.529
where: short stacking energy: -246.497
Base-Backbone interact. energy: 1.342
local terms energy: -280.924831
where:
bonds (distance) C4'-P energy: -57.545
bonds (distance) P-C4' energy: -60.329
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -47.661
tors. eta vs tors. theta energy: -47.137
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -915.111636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.111636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.711636 (E_RNA)
where:
Base-Base interactions energy: -528.353
where: short stacking energy: -216.672
Base-Backbone interact. energy: -0.904
local terms energy: -227.454891
where:
bonds (distance) C4'-P energy: -58.127
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -48.737
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -46.516
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1461.906844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.906844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.706844 (E_RNA)
where:
Base-Base interactions energy: -877.504
where: short stacking energy: -358.134
Base-Backbone interact. energy: -2.916
local terms energy: -376.287187
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -85.825
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -97.637
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1408.848269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.848269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.648269 (E_RNA)
where:
Base-Base interactions energy: -851.895
where: short stacking energy: -354.101
Base-Backbone interact. energy: -1.605
local terms energy: -359.148511
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -74.998
flat angles C4'-P-C4' energy: -85.106
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -86.687
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1381.801622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.801622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.001622 (E_RNA)
where:
Base-Base interactions energy: -838.436
where: short stacking energy: -330.388
Base-Backbone interact. energy: 0.134
local terms energy: -343.700078
where:
bonds (distance) C4'-P energy: -62.075
bonds (distance) P-C4' energy: -64.726
flat angles C4'-P-C4' energy: -81.159
flat angles P-C4'-P energy: -57.791
tors. eta vs tors. theta energy: -77.949
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1337.156535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.156535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.956535 (E_RNA)
where:
Base-Base interactions energy: -799.516
where: short stacking energy: -306.897
Base-Backbone interact. energy: -1.364
local terms energy: -322.076860
where:
bonds (distance) C4'-P energy: -62.274
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -66.040
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -85.850
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1294.853896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.853896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.653896 (E_RNA)
where:
Base-Base interactions energy: -751.880
where: short stacking energy: -303.063
Base-Backbone interact. energy: -1.449
local terms energy: -327.324994
where:
bonds (distance) C4'-P energy: -71.011
bonds (distance) P-C4' energy: -71.654
flat angles C4'-P-C4' energy: -72.639
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -71.095
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1252.814327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.814327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.814327 (E_RNA)
where:
Base-Base interactions energy: -713.012
where: short stacking energy: -278.189
Base-Backbone interact. energy: 1.711
local terms energy: -325.513221
where:
bonds (distance) C4'-P energy: -63.859
bonds (distance) P-C4' energy: -71.648
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -44.656
tors. eta vs tors. theta energy: -73.060
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1193.831175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.831175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.631175 (E_RNA)
where:
Base-Base interactions energy: -678.551
where: short stacking energy: -269.806
Base-Backbone interact. energy: -2.115
local terms energy: -316.964780
where:
bonds (distance) C4'-P energy: -63.165
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -67.912
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1181.568046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.568046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.168046 (E_RNA)
where:
Base-Base interactions energy: -691.693
where: short stacking energy: -279.743
Base-Backbone interact. energy: -0.494
local terms energy: -285.981705
where:
bonds (distance) C4'-P energy: -51.672
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -68.587
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -64.836
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1176.528510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.528510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.728510 (E_RNA)
where:
Base-Base interactions energy: -694.601
where: short stacking energy: -263.984
Base-Backbone interact. energy: -0.977
local terms energy: -263.150024
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -56.160
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -34.533
tors. eta vs tors. theta energy: -66.116
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -944.694895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.694895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.894895 (E_RNA)
where:
Base-Base interactions energy: -542.214
where: short stacking energy: -220.687
Base-Backbone interact. energy: -0.066
local terms energy: -238.615044
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -69.281
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -48.275
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1450.939172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.939172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.339172 (E_RNA)
where:
Base-Base interactions energy: -866.555
where: short stacking energy: -342.183
Base-Backbone interact. energy: -1.462
local terms energy: -381.322581
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -62.023
tors. eta vs tors. theta energy: -93.750
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1422.684601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.684601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.884601 (E_RNA)
where:
Base-Base interactions energy: -845.570
where: short stacking energy: -347.388
Base-Backbone interact. energy: -1.024
local terms energy: -376.290638
where:
bonds (distance) C4'-P energy: -63.815
bonds (distance) P-C4' energy: -82.464
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -94.008
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1339.771050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.771050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.971050 (E_RNA)
where:
Base-Base interactions energy: -794.681
where: short stacking energy: -321.615
Base-Backbone interact. energy: -1.485
local terms energy: -343.805338
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -63.123
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -54.111
tors. eta vs tors. theta energy: -84.745
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1377.936048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.936048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.936048 (E_RNA)
where:
Base-Base interactions energy: -809.999
where: short stacking energy: -325.072
Base-Backbone interact. energy: -1.987
local terms energy: -349.950755
where:
bonds (distance) C4'-P energy: -69.317
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -75.438
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -90.710
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1335.030887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.030887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.030887 (E_RNA)
where:
Base-Base interactions energy: -784.853
where: short stacking energy: -305.100
Base-Backbone interact. energy: 0.840
local terms energy: -335.017153
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -73.468
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -76.474
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1227.522463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.522463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.122463 (E_RNA)
where:
Base-Base interactions energy: -719.126
where: short stacking energy: -293.795
Base-Backbone interact. energy: -2.658
local terms energy: -293.338431
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -68.555
flat angles C4'-P-C4' energy: -66.674
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -67.305
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1222.799539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.799539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.399539 (E_RNA)
where:
Base-Base interactions energy: -696.366
where: short stacking energy: -266.767
Base-Backbone interact. energy: 0.612
local terms energy: -314.645466
where:
bonds (distance) C4'-P energy: -70.123
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -67.380
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -60.737
Dist. restrs. and SS energy: -212.400 (S_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: -1168.964274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.964274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.964274 (E_RNA)
where:
Base-Base interactions energy: -662.179
where: short stacking energy: -261.169
Base-Backbone interact. energy: -0.503
local terms energy: -308.282223
where:
bonds (distance) C4'-P energy: -65.478
bonds (distance) P-C4' energy: -58.791
flat angles C4'-P-C4' energy: -71.201
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -70.304
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1159.032320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.032320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.632320 (E_RNA)
where:
Base-Base interactions energy: -669.295
where: short stacking energy: -256.484
Base-Backbone interact. energy: 1.742
local terms energy: -279.079592
where:
bonds (distance) C4'-P energy: -47.576
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -65.825
flat angles P-C4'-P energy: -40.611
tors. eta vs tors. theta energy: -58.078
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -935.709390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.709390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.309390 (E_RNA)
where:
Base-Base interactions energy: -533.541
where: short stacking energy: -196.831
Base-Backbone interact. energy: -1.002
local terms energy: -242.767227
where:
bonds (distance) C4'-P energy: -61.216
bonds (distance) P-C4' energy: -57.760
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1462.868326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.868326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.868326 (E_RNA)
where:
Base-Base interactions energy: -876.923
where: short stacking energy: -354.581
Base-Backbone interact. energy: -4.095
local terms energy: -374.850584
where:
bonds (distance) C4'-P energy: -80.428
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -81.118
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: -100.748
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1435.831115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.831115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.031115 (E_RNA)
where:
Base-Base interactions energy: -858.688
where: short stacking energy: -354.384
Base-Backbone interact. energy: -2.868
local terms energy: -374.474874
where:
bonds (distance) C4'-P energy: -76.839
bonds (distance) P-C4' energy: -72.927
flat angles C4'-P-C4' energy: -84.155
flat angles P-C4'-P energy: -50.041
tors. eta vs tors. theta energy: -90.513
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1349.776539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.776539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.576539 (E_RNA)
where:
Base-Base interactions energy: -789.099
where: short stacking energy: -333.067
Base-Backbone interact. energy: -1.245
local terms energy: -363.232912
where:
bonds (distance) C4'-P energy: -73.804
bonds (distance) P-C4' energy: -72.858
flat angles C4'-P-C4' energy: -78.278
flat angles P-C4'-P energy: -50.635
tors. eta vs tors. theta energy: -87.658
Dist. restrs. and SS energy: -196.200 (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: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1351.358067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.358067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.958067 (E_RNA)
where:
Base-Base interactions energy: -780.492
where: short stacking energy: -318.404
Base-Backbone interact. energy: -1.678
local terms energy: -356.788902
where:
bonds (distance) C4'-P energy: -72.714
bonds (distance) P-C4' energy: -63.442
flat angles C4'-P-C4' energy: -84.059
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -82.847
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1330.627991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.627991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.027991 (E_RNA)
where:
Base-Base interactions energy: -787.822
where: short stacking energy: -291.758
Base-Backbone interact. energy: 3.189
local terms energy: -335.395149
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -88.438
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1245.917288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.917288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.117288 (E_RNA)
where:
Base-Base interactions energy: -717.804
where: short stacking energy: -283.974
Base-Backbone interact. energy: -1.974
local terms energy: -317.338620
where:
bonds (distance) C4'-P energy: -67.961
bonds (distance) P-C4' energy: -65.417
flat angles C4'-P-C4' energy: -72.237
flat angles P-C4'-P energy: -43.984
tors. eta vs tors. theta energy: -67.741
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1212.254133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.254133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.054133 (E_RNA)
where:
Base-Base interactions energy: -672.045
where: short stacking energy: -258.401
Base-Backbone interact. energy: -0.244
local terms energy: -325.764337
where:
bonds (distance) C4'-P energy: -72.355
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -57.211
tors. eta vs tors. theta energy: -62.386
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1198.659761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.659761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.259761 (E_RNA)
where:
Base-Base interactions energy: -703.946
where: short stacking energy: -282.570
Base-Backbone interact. energy: -1.438
local terms energy: -280.875636
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -68.715
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -71.610
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1162.417846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.417846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.417846 (E_RNA)
where:
Base-Base interactions energy: -679.231
where: short stacking energy: -264.139
Base-Backbone interact. energy: -0.311
local terms energy: -284.875914
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -81.740
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -911.551826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.551826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.751826 (E_RNA)
where:
Base-Base interactions energy: -520.450
where: short stacking energy: -199.952
Base-Backbone interact. energy: -1.440
local terms energy: -234.861625
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -29.032
tors. eta vs tors. theta energy: -44.162
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1459.144854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.144854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.944854 (E_RNA)
where:
Base-Base interactions energy: -887.882
where: short stacking energy: -356.198
Base-Backbone interact. energy: -2.328
local terms energy: -363.734326
where:
bonds (distance) C4'-P energy: -66.721
bonds (distance) P-C4' energy: -71.425
flat angles C4'-P-C4' energy: -77.483
flat angles P-C4'-P energy: -50.219
tors. eta vs tors. theta energy: -97.886
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1449.730692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.730692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.730692 (E_RNA)
where:
Base-Base interactions energy: -874.917
where: short stacking energy: -344.445
Base-Backbone interact. energy: -0.523
local terms energy: -376.290727
where:
bonds (distance) C4'-P energy: -82.875
bonds (distance) P-C4' energy: -68.401
flat angles C4'-P-C4' energy: -80.510
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: -93.771
Dist. restrs. and SS energy: -198.000 (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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1348.370172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.370172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.570172 (E_RNA)
where:
Base-Base interactions energy: -809.971
where: short stacking energy: -345.526
Base-Backbone interact. energy: -3.542
local terms energy: -335.057654
where:
bonds (distance) C4'-P energy: -71.109
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -76.083
flat angles P-C4'-P energy: -53.836
tors. eta vs tors. theta energy: -86.039
Dist. restrs. and SS energy: -199.800 (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: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1340.910331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.910331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.510331 (E_RNA)
where:
Base-Base interactions energy: -807.169
where: short stacking energy: -324.169
Base-Backbone interact. energy: -0.125
local terms energy: -321.217021
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -72.449
flat angles C4'-P-C4' energy: -73.890
flat angles P-C4'-P energy: -41.999
tors. eta vs tors. theta energy: -83.035
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1316.558922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.558922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.558922 (E_RNA)
where:
Base-Base interactions energy: -772.571
where: short stacking energy: -297.713
Base-Backbone interact. energy: -0.960
local terms energy: -327.027947
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -72.169
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -73.691
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1245.532122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.532122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.932122 (E_RNA)
where:
Base-Base interactions energy: -720.137
where: short stacking energy: -288.482
Base-Backbone interact. energy: -0.523
local terms energy: -305.272832
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -77.858
flat angles P-C4'-P energy: -44.639
tors. eta vs tors. theta energy: -69.691
Dist. restrs. and SS energy: -219.600 (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: 270
Temperature: 1.200000
Total energy: -1243.780675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.780675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.380675 (E_RNA)
where:
Base-Base interactions energy: -738.138
where: short stacking energy: -276.651
Base-Backbone interact. energy: 1.619
local terms energy: -294.862169
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -63.523
flat angles C4'-P-C4' energy: -63.400
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -62.058
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1188.025592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.025592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.825592 (E_RNA)
where:
Base-Base interactions energy: -690.439
where: short stacking energy: -276.071
Base-Backbone interact. energy: 3.601
local terms energy: -286.987897
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -64.752
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -69.665
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1114.690011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.690011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.490011 (E_RNA)
where:
Base-Base interactions energy: -651.350
where: short stacking energy: -259.638
Base-Backbone interact. energy: -1.041
local terms energy: -266.098702
where:
bonds (distance) C4'-P energy: -45.405
bonds (distance) P-C4' energy: -55.406
flat angles C4'-P-C4' energy: -60.355
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -61.271
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -901.552388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.552388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.952388 (E_RNA)
where:
Base-Base interactions energy: -501.220
where: short stacking energy: -192.499
Base-Backbone interact. energy: 0.270
local terms energy: -235.002176
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -66.566
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1463.498586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.498586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.498586 (E_RNA)
where:
Base-Base interactions energy: -893.069
where: short stacking energy: -356.068
Base-Backbone interact. energy: -2.650
local terms energy: -360.780053
where:
bonds (distance) C4'-P energy: -68.864
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -81.296
flat angles P-C4'-P energy: -52.358
tors. eta vs tors. theta energy: -96.414
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1451.141611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.141611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.741611 (E_RNA)
where:
Base-Base interactions energy: -893.193
where: short stacking energy: -362.852
Base-Backbone interact. energy: -2.070
local terms energy: -352.479352
where:
bonds (distance) C4'-P energy: -71.521
bonds (distance) P-C4' energy: -68.561
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -93.053
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1358.275555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.275555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.275555 (E_RNA)
where:
Base-Base interactions energy: -817.644
where: short stacking energy: -334.322
Base-Backbone interact. energy: -2.977
local terms energy: -339.654968
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -74.672
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -90.187
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1344.412540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.412540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.412540 (E_RNA)
where:
Base-Base interactions energy: -797.772
where: short stacking energy: -323.728
Base-Backbone interact. energy: -1.741
local terms energy: -328.899229
where:
bonds (distance) C4'-P energy: -61.684
bonds (distance) P-C4' energy: -54.585
flat angles C4'-P-C4' energy: -78.495
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -86.311
Dist. restrs. and SS energy: -216.000 (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: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1305.148935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.148935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.748935 (E_RNA)
where:
Base-Base interactions energy: -779.633
where: short stacking energy: -301.034
Base-Backbone interact. energy: 0.921
local terms energy: -314.037158
where:
bonds (distance) C4'-P energy: -64.881
bonds (distance) P-C4' energy: -76.412
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -80.028
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1225.885254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.885254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.685254 (E_RNA)
where:
Base-Base interactions energy: -705.523
where: short stacking energy: -284.111
Base-Backbone interact. energy: -2.051
local terms energy: -304.110837
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -72.227
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -69.906
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1239.248498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.248498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.048498 (E_RNA)
where:
Base-Base interactions energy: -720.055
where: short stacking energy: -288.041
Base-Backbone interact. energy: -1.001
local terms energy: -303.991661
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: -65.554
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1189.472686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.472686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.072686 (E_RNA)
where:
Base-Base interactions energy: -686.855
where: short stacking energy: -261.053
Base-Backbone interact. energy: -0.208
local terms energy: -290.009542
where:
bonds (distance) C4'-P energy: -57.791
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -71.924
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -64.047
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1120.872114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.872114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.472114 (E_RNA)
where:
Base-Base interactions energy: -641.416
where: short stacking energy: -261.032
Base-Backbone interact. energy: 1.368
local terms energy: -295.424090
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -66.428
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -902.176973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.176973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.176973 (E_RNA)
where:
Base-Base interactions energy: -483.819
where: short stacking energy: -209.441
Base-Backbone interact. energy: 0.179
local terms energy: -256.536609
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1427.572908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.572908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.972908 (E_RNA)
where:
Base-Base interactions energy: -852.662
where: short stacking energy: -350.646
Base-Backbone interact. energy: 0.251
local terms energy: -373.562389
where:
bonds (distance) C4'-P energy: -59.072
bonds (distance) P-C4' energy: -85.844
flat angles C4'-P-C4' energy: -76.600
flat angles P-C4'-P energy: -57.871
tors. eta vs tors. theta energy: -94.175
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1429.089128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.089128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.889128 (E_RNA)
where:
Base-Base interactions energy: -860.429
where: short stacking energy: -336.100
Base-Backbone interact. energy: -0.798
local terms energy: -362.662467
where:
bonds (distance) C4'-P energy: -61.338
bonds (distance) P-C4' energy: -68.512
flat angles C4'-P-C4' energy: -79.051
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -91.935
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1388.615667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.615667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.415667 (E_RNA)
where:
Base-Base interactions energy: -821.830
where: short stacking energy: -338.256
Base-Backbone interact. energy: -0.028
local terms energy: -352.557447
where:
bonds (distance) C4'-P energy: -69.515
bonds (distance) P-C4' energy: -60.340
flat angles C4'-P-C4' energy: -84.017
flat angles P-C4'-P energy: -54.595
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1349.623455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.623455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.823455 (E_RNA)
where:
Base-Base interactions energy: -812.204
where: short stacking energy: -344.300
Base-Backbone interact. energy: 0.794
local terms energy: -338.414054
where:
bonds (distance) C4'-P energy: -73.983
bonds (distance) P-C4' energy: -66.114
flat angles C4'-P-C4' energy: -76.325
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -82.094
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1316.994579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.994579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.594579 (E_RNA)
where:
Base-Base interactions energy: -757.798
where: short stacking energy: -306.029
Base-Backbone interact. energy: -4.585
local terms energy: -342.211804
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -67.747
flat angles C4'-P-C4' energy: -84.645
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -75.596
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1221.294636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.294636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.494636 (E_RNA)
where:
Base-Base interactions energy: -707.070
where: short stacking energy: -286.235
Base-Backbone interact. energy: -2.868
local terms energy: -293.556158
where:
bonds (distance) C4'-P energy: -59.967
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -65.927
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1221.330169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.330169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.130169 (E_RNA)
where:
Base-Base interactions energy: -698.357
where: short stacking energy: -282.221
Base-Backbone interact. energy: -0.138
local terms energy: -308.635052
where:
bonds (distance) C4'-P energy: -53.468
bonds (distance) P-C4' energy: -59.562
flat angles C4'-P-C4' energy: -79.644
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -72.630
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1190.766758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.766758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.766758 (E_RNA)
where:
Base-Base interactions energy: -680.557
where: short stacking energy: -268.300
Base-Backbone interact. energy: -2.101
local terms energy: -292.108276
where:
bonds (distance) C4'-P energy: -51.502
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -65.103
flat angles P-C4'-P energy: -45.679
tors. eta vs tors. theta energy: -61.270
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1138.710462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.710462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.910462 (E_RNA)
where:
Base-Base interactions energy: -652.539
where: short stacking energy: -259.043
Base-Backbone interact. energy: -1.983
local terms energy: -284.387975
where:
bonds (distance) C4'-P energy: -62.262
bonds (distance) P-C4' energy: -60.281
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -47.016
tors. eta vs tors. theta energy: -61.314
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -935.104151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.104151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.504151 (E_RNA)
where:
Base-Base interactions energy: -521.311
where: short stacking energy: -207.890
Base-Backbone interact. energy: 0.786
local terms energy: -257.979347
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -67.966
flat angles C4'-P-C4' energy: -65.593
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1430.587860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.587860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.587860 (E_RNA)
where:
Base-Base interactions energy: -859.723
where: short stacking energy: -361.615
Base-Backbone interact. energy: -1.890
local terms energy: -370.974718
where:
bonds (distance) C4'-P energy: -71.050
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -89.363
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1416.277161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.277161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.877161 (E_RNA)
where:
Base-Base interactions energy: -831.588
where: short stacking energy: -342.217
Base-Backbone interact. energy: 0.763
local terms energy: -373.051772
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -78.647
flat angles C4'-P-C4' energy: -81.229
flat angles P-C4'-P energy: -55.523
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: -212.400 (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: 273
Temperature: 1.000000
Total energy: -1385.233783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.233783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.833783 (E_RNA)
where:
Base-Base interactions energy: -816.318
where: short stacking energy: -322.283
Base-Backbone interact. energy: -1.478
local terms energy: -364.037841
where:
bonds (distance) C4'-P energy: -71.996
bonds (distance) P-C4' energy: -72.857
flat angles C4'-P-C4' energy: -73.302
flat angles P-C4'-P energy: -54.649
tors. eta vs tors. theta energy: -91.233
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1348.571395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.571395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.571395 (E_RNA)
where:
Base-Base interactions energy: -807.339
where: short stacking energy: -317.920
Base-Backbone interact. energy: -3.616
local terms energy: -321.615931
where:
bonds (distance) C4'-P energy: -59.241
bonds (distance) P-C4' energy: -63.230
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -77.853
Dist. restrs. and SS energy: -216.000 (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: 273
Temperature: 1.100000
Total energy: -1285.718475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.718475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.718475 (E_RNA)
where:
Base-Base interactions energy: -724.971
where: short stacking energy: -298.623
Base-Backbone interact. energy: -0.084
local terms energy: -362.663529
where:
bonds (distance) C4'-P energy: -69.119
bonds (distance) P-C4' energy: -73.625
flat angles C4'-P-C4' energy: -78.945
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -83.838
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1240.296703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.296703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.696703 (E_RNA)
where:
Base-Base interactions energy: -713.200
where: short stacking energy: -289.378
Base-Backbone interact. energy: -2.225
local terms energy: -314.272022
where:
bonds (distance) C4'-P energy: -60.360
bonds (distance) P-C4' energy: -69.135
flat angles C4'-P-C4' energy: -78.464
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -71.477
Dist. restrs. and SS energy: -210.600 (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: 273
Temperature: 1.200000
Total energy: -1243.342733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.942733 (E_RNA)
where:
Base-Base interactions energy: -715.875
where: short stacking energy: -294.779
Base-Backbone interact. energy: -2.782
local terms energy: -312.285585
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -66.422
flat angles C4'-P-C4' energy: -65.247
flat angles P-C4'-P energy: -49.755
tors. eta vs tors. theta energy: -71.402
Dist. restrs. and SS energy: -212.400 (S_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: 273
Temperature: 1.250000
Total energy: -1165.235021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.235021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.435021 (E_RNA)
where:
Base-Base interactions energy: -668.843
where: short stacking energy: -285.232
Base-Backbone interact. energy: -2.203
local terms energy: -294.388678
where:
bonds (distance) C4'-P energy: -44.197
bonds (distance) P-C4' energy: -66.157
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -74.061
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1147.284560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.284560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.484560 (E_RNA)
where:
Base-Base interactions energy: -654.409
where: short stacking energy: -254.006
Base-Backbone interact. energy: -2.938
local terms energy: -281.136661
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -62.733
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -61.678
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -908.319942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.319942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.319942 (E_RNA)
where:
Base-Base interactions energy: -508.242
where: short stacking energy: -217.166
Base-Backbone interact. energy: 3.692
local terms energy: -241.769598
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -60.024
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -34.934
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1444.997753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.997753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.397753 (E_RNA)
where:
Base-Base interactions energy: -865.939
where: short stacking energy: -351.511
Base-Backbone interact. energy: -0.932
local terms energy: -376.526625
where:
bonds (distance) C4'-P energy: -68.555
bonds (distance) P-C4' energy: -78.915
flat angles C4'-P-C4' energy: -85.277
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -96.517
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1428.202741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.202741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.002741 (E_RNA)
where:
Base-Base interactions energy: -873.276
where: short stacking energy: -362.270
Base-Backbone interact. energy: -0.602
local terms energy: -340.123955
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -57.197
tors. eta vs tors. theta energy: -93.439
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1394.969487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.969487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.369487 (E_RNA)
where:
Base-Base interactions energy: -829.135
where: short stacking energy: -318.190
Base-Backbone interact. energy: 0.395
local terms energy: -364.629633
where:
bonds (distance) C4'-P energy: -68.510
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -73.104
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -98.523
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1376.732604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.732604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.332604 (E_RNA)
where:
Base-Base interactions energy: -823.633
where: short stacking energy: -310.877
Base-Backbone interact. energy: -2.406
local terms energy: -338.293636
where:
bonds (distance) C4'-P energy: -71.198
bonds (distance) P-C4' energy: -71.199
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -48.231
tors. eta vs tors. theta energy: -82.171
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1268.620378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.620378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.820378 (E_RNA)
where:
Base-Base interactions energy: -730.903
where: short stacking energy: -301.179
Base-Backbone interact. energy: -2.968
local terms energy: -316.949534
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -67.737
flat angles C4'-P-C4' energy: -72.362
flat angles P-C4'-P energy: -44.999
tors. eta vs tors. theta energy: -72.183
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1281.374832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.374832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.574832 (E_RNA)
where:
Base-Base interactions energy: -748.689
where: short stacking energy: -317.019
Base-Backbone interact. energy: -1.213
local terms energy: -331.673362
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -82.662
flat angles C4'-P-C4' energy: -76.711
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -81.973
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1237.454736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.454736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.254736 (E_RNA)
where:
Base-Base interactions energy: -725.034
where: short stacking energy: -284.250
Base-Backbone interact. energy: 4.257
local terms energy: -302.477854
where:
bonds (distance) C4'-P energy: -44.443
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -73.741
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -76.303
Dist. restrs. and SS energy: -214.200 (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: 274
Temperature: 1.250000
Total energy: -1161.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.381314 (E_RNA)
where:
Base-Base interactions energy: -688.337
where: short stacking energy: -275.081
Base-Backbone interact. energy: -1.532
local terms energy: -271.512283
where:
bonds (distance) C4'-P energy: -50.997
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -65.447
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -59.433
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1132.525795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.525795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.125795 (E_RNA)
where:
Base-Base interactions energy: -657.592
where: short stacking energy: -245.180
Base-Backbone interact. energy: -1.141
local terms energy: -261.393332
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -34.288
tors. eta vs tors. theta energy: -61.294
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -914.704760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.704760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.504760 (E_RNA)
where:
Base-Base interactions energy: -512.913
where: short stacking energy: -218.100
Base-Backbone interact. energy: -2.794
local terms energy: -238.797342
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -51.864
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -38.977
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1439.842508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.842508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.042508 (E_RNA)
where:
Base-Base interactions energy: -870.025
where: short stacking energy: -351.756
Base-Backbone interact. energy: -2.760
local terms energy: -367.257425
where:
bonds (distance) C4'-P energy: -64.740
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -85.120
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -98.663
Dist. restrs. and SS energy: -199.800 (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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1406.450727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.450727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.450727 (E_RNA)
where:
Base-Base interactions energy: -838.559
where: short stacking energy: -346.061
Base-Backbone interact. energy: 1.083
local terms energy: -352.974155
where:
bonds (distance) C4'-P energy: -61.863
bonds (distance) P-C4' energy: -73.947
flat angles C4'-P-C4' energy: -78.476
flat angles P-C4'-P energy: -48.438
tors. eta vs tors. theta energy: -90.249
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1395.124323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.124323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.124323 (E_RNA)
where:
Base-Base interactions energy: -820.051
where: short stacking energy: -331.240
Base-Backbone interact. energy: 0.019
local terms energy: -368.092286
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -66.911
flat angles C4'-P-C4' energy: -76.611
flat angles P-C4'-P energy: -61.830
tors. eta vs tors. theta energy: -95.153
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1351.605116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.605116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.405116 (E_RNA)
where:
Base-Base interactions energy: -790.219
where: short stacking energy: -308.817
Base-Backbone interact. energy: -3.819
local terms energy: -343.366827
where:
bonds (distance) C4'-P energy: -67.033
bonds (distance) P-C4' energy: -73.916
flat angles C4'-P-C4' energy: -79.937
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -78.309
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1266.142338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.142338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.542338 (E_RNA)
where:
Base-Base interactions energy: -719.722
where: short stacking energy: -285.409
Base-Backbone interact. energy: -1.265
local terms energy: -334.555828
where:
bonds (distance) C4'-P energy: -62.652
bonds (distance) P-C4' energy: -66.176
flat angles C4'-P-C4' energy: -78.374
flat angles P-C4'-P energy: -44.458
tors. eta vs tors. theta energy: -82.896
Dist. restrs. and SS energy: -210.600 (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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1266.908004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.908004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.708004 (E_RNA)
where:
Base-Base interactions energy: -748.439
where: short stacking energy: -306.099
Base-Backbone interact. energy: -2.890
local terms energy: -319.379197
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -64.585
flat angles C4'-P-C4' energy: -64.258
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -78.352
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1240.794104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.794104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.594104 (E_RNA)
where:
Base-Base interactions energy: -725.467
where: short stacking energy: -292.490
Base-Backbone interact. energy: 0.301
local terms energy: -301.428512
where:
bonds (distance) C4'-P energy: -54.995
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -74.843
flat angles P-C4'-P energy: -50.688
tors. eta vs tors. theta energy: -76.135
Dist. restrs. and SS energy: -214.200 (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: 275
Temperature: 1.250000
Total energy: -1150.666995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.666995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.266995 (E_RNA)
where:
Base-Base interactions energy: -651.516
where: short stacking energy: -285.657
Base-Backbone interact. energy: -0.828
local terms energy: -303.922568
where:
bonds (distance) C4'-P energy: -67.765
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -73.453
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1138.771571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.771571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.571571 (E_RNA)
where:
Base-Base interactions energy: -661.772
where: short stacking energy: -253.052
Base-Backbone interact. energy: -0.577
local terms energy: -271.222542
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -64.261
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -914.007300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.007300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.607300 (E_RNA)
where:
Base-Base interactions energy: -500.993
where: short stacking energy: -205.198
Base-Backbone interact. energy: 2.587
local terms energy: -257.200591
where:
bonds (distance) C4'-P energy: -58.154
bonds (distance) P-C4' energy: -63.832
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -40.401
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1450.233877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.233877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.833877 (E_RNA)
where:
Base-Base interactions energy: -878.395
where: short stacking energy: -367.739
Base-Backbone interact. energy: 0.501
local terms energy: -368.939516
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -71.037
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -49.323
tors. eta vs tors. theta energy: -100.767
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1416.569252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.569252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.369252 (E_RNA)
where:
Base-Base interactions energy: -834.819
where: short stacking energy: -349.585
Base-Backbone interact. energy: -1.056
local terms energy: -366.493824
where:
bonds (distance) C4'-P energy: -70.350
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -69.632
flat angles P-C4'-P energy: -54.972
tors. eta vs tors. theta energy: -90.930
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1376.811230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.811230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.011230 (E_RNA)
where:
Base-Base interactions energy: -822.906
where: short stacking energy: -337.879
Base-Backbone interact. energy: 1.842
local terms energy: -355.947479
where:
bonds (distance) C4'-P energy: -68.920
bonds (distance) P-C4' energy: -65.489
flat angles C4'-P-C4' energy: -80.833
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -95.361
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1346.172719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.172719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.972719 (E_RNA)
where:
Base-Base interactions energy: -791.394
where: short stacking energy: -305.782
Base-Backbone interact. energy: 1.662
local terms energy: -342.241037
where:
bonds (distance) C4'-P energy: -59.972
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -78.176
flat angles P-C4'-P energy: -53.153
tors. eta vs tors. theta energy: -83.813
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1293.611567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.611567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.411567 (E_RNA)
where:
Base-Base interactions energy: -749.828
where: short stacking energy: -307.248
Base-Backbone interact. energy: -2.243
local terms energy: -327.340002
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -72.152
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1236.220664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.220664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.220664 (E_RNA)
where:
Base-Base interactions energy: -723.373
where: short stacking energy: -278.251
Base-Backbone interact. energy: 1.533
local terms energy: -316.380628
where:
bonds (distance) C4'-P energy: -60.306
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -46.424
tors. eta vs tors. theta energy: -74.633
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1266.035837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.035837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.635837 (E_RNA)
where:
Base-Base interactions energy: -722.867
where: short stacking energy: -294.097
Base-Backbone interact. energy: -2.585
local terms energy: -319.183254
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -66.698
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -80.799
Dist. restrs. and SS energy: -221.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1159.119597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.119597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.119597 (E_RNA)
where:
Base-Base interactions energy: -664.980
where: short stacking energy: -246.488
Base-Backbone interact. energy: -1.722
local terms energy: -294.417398
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -58.207
flat angles C4'-P-C4' energy: -69.892
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -56.861
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1155.493916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.493916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.493916 (E_RNA)
where:
Base-Base interactions energy: -671.947
where: short stacking energy: -277.396
Base-Backbone interact. energy: 4.444
local terms energy: -280.990544
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -60.918
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -67.855
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -929.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.698964 (E_RNA)
where:
Base-Base interactions energy: -515.716
where: short stacking energy: -198.925
Base-Backbone interact. energy: 0.110
local terms energy: -252.093140
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -59.053
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1458.272102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.272102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.072102 (E_RNA)
where:
Base-Base interactions energy: -885.225
where: short stacking energy: -376.912
Base-Backbone interact. energy: -1.731
local terms energy: -366.116303
where:
bonds (distance) C4'-P energy: -68.670
bonds (distance) P-C4' energy: -67.036
flat angles C4'-P-C4' energy: -78.341
flat angles P-C4'-P energy: -52.158
tors. eta vs tors. theta energy: -99.911
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1413.168846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.168846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.968846 (E_RNA)
where:
Base-Base interactions energy: -850.194
where: short stacking energy: -347.028
Base-Backbone interact. energy: -1.145
local terms energy: -356.629975
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -68.504
flat angles C4'-P-C4' energy: -82.022
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: -89.310
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1394.057548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.057548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.057548 (E_RNA)
where:
Base-Base interactions energy: -833.092
where: short stacking energy: -337.938
Base-Backbone interact. energy: -4.234
local terms energy: -340.731722
where:
bonds (distance) C4'-P energy: -73.550
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -88.596
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1338.300796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.300796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.700796 (E_RNA)
where:
Base-Base interactions energy: -789.980
where: short stacking energy: -308.314
Base-Backbone interact. energy: -3.062
local terms energy: -334.658535
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -70.641
flat angles C4'-P-C4' energy: -73.881
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -80.308
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1294.710947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.710947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.510947 (E_RNA)
where:
Base-Base interactions energy: -752.646
where: short stacking energy: -297.261
Base-Backbone interact. energy: -1.735
local terms energy: -326.129996
where:
bonds (distance) C4'-P energy: -67.812
bonds (distance) P-C4' energy: -70.001
flat angles C4'-P-C4' energy: -79.952
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -82.448
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1252.683361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.683361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.483361 (E_RNA)
where:
Base-Base interactions energy: -732.840
where: short stacking energy: -291.539
Base-Backbone interact. energy: -0.345
local terms energy: -323.298516
where:
bonds (distance) C4'-P energy: -62.511
bonds (distance) P-C4' energy: -65.390
flat angles C4'-P-C4' energy: -70.560
flat angles P-C4'-P energy: -51.489
tors. eta vs tors. theta energy: -73.348
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1265.858192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.858192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.658192 (E_RNA)
where:
Base-Base interactions energy: -723.784
where: short stacking energy: -297.044
Base-Backbone interact. energy: -1.154
local terms energy: -326.720180
where:
bonds (distance) C4'-P energy: -48.077
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -76.115
flat angles P-C4'-P energy: -52.185
tors. eta vs tors. theta energy: -78.615
Dist. restrs. and SS energy: -214.200 (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: 277
Temperature: 1.250000
Total energy: -1150.777634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.777634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.977634 (E_RNA)
where:
Base-Base interactions energy: -657.838
where: short stacking energy: -248.376
Base-Backbone interact. energy: -2.186
local terms energy: -290.952773
where:
bonds (distance) C4'-P energy: -51.012
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -68.119
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -53.427
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1155.696566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.696566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.296566 (E_RNA)
where:
Base-Base interactions energy: -658.419
where: short stacking energy: -249.393
Base-Backbone interact. energy: 4.187
local terms energy: -298.064121
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -67.628
flat angles C4'-P-C4' energy: -58.619
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: -63.959
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -939.733047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.733047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.933047 (E_RNA)
where:
Base-Base interactions energy: -531.562
where: short stacking energy: -212.473
Base-Backbone interact. energy: -1.152
local terms energy: -252.218630
where:
bonds (distance) C4'-P energy: -51.786
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -60.061
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -39.729
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1453.013863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.013863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.013863 (E_RNA)
where:
Base-Base interactions energy: -875.480
where: short stacking energy: -360.792
Base-Backbone interact. energy: 0.105
local terms energy: -370.638374
where:
bonds (distance) C4'-P energy: -74.837
bonds (distance) P-C4' energy: -67.214
flat angles C4'-P-C4' energy: -76.652
flat angles P-C4'-P energy: -58.388
tors. eta vs tors. theta energy: -93.548
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1416.875107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.875107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.075107 (E_RNA)
where:
Base-Base interactions energy: -832.176
where: short stacking energy: -327.444
Base-Backbone interact. energy: -3.024
local terms energy: -381.875374
where:
bonds (distance) C4'-P energy: -73.852
bonds (distance) P-C4' energy: -88.116
flat angles C4'-P-C4' energy: -72.742
flat angles P-C4'-P energy: -52.677
tors. eta vs tors. theta energy: -94.489
Dist. restrs. and SS energy: -199.800 (S_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: 278
Temperature: 1.000000
Total energy: -1379.001633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.001633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.001633 (E_RNA)
where:
Base-Base interactions energy: -823.361
where: short stacking energy: -313.243
Base-Backbone interact. energy: -1.961
local terms energy: -337.679686
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -60.896
flat angles C4'-P-C4' energy: -75.229
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -75.994
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1376.453150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.453150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.253150 (E_RNA)
where:
Base-Base interactions energy: -799.645
where: short stacking energy: -336.822
Base-Backbone interact. energy: -2.755
local terms energy: -359.853488
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -69.732
flat angles C4'-P-C4' energy: -83.638
flat angles P-C4'-P energy: -47.437
tors. eta vs tors. theta energy: -95.404
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1310.019298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.019298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.219298 (E_RNA)
where:
Base-Base interactions energy: -762.398
where: short stacking energy: -315.075
Base-Backbone interact. energy: -0.979
local terms energy: -328.841865
where:
bonds (distance) C4'-P energy: -59.083
bonds (distance) P-C4' energy: -67.664
flat angles C4'-P-C4' energy: -75.388
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -94.706
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1284.425113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.425113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.425113 (E_RNA)
where:
Base-Base interactions energy: -749.976
where: short stacking energy: -309.431
Base-Backbone interact. energy: -0.284
local terms energy: -336.165493
where:
bonds (distance) C4'-P energy: -64.717
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -56.005
tors. eta vs tors. theta energy: -84.314
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1242.698045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.698045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.498045 (E_RNA)
where:
Base-Base interactions energy: -716.153
where: short stacking energy: -281.837
Base-Backbone interact. energy: -2.377
local terms energy: -309.967825
where:
bonds (distance) C4'-P energy: -59.560
bonds (distance) P-C4' energy: -67.251
flat angles C4'-P-C4' energy: -71.213
flat angles P-C4'-P energy: -50.782
tors. eta vs tors. theta energy: -61.162
Dist. restrs. and SS energy: -214.200 (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: 278
Temperature: 1.250000
Total energy: -1169.238742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.238742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.638742 (E_RNA)
where:
Base-Base interactions energy: -668.627
where: short stacking energy: -255.152
Base-Backbone interact. energy: -0.789
local terms energy: -307.222560
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -65.238
flat angles C4'-P-C4' energy: -76.640
flat angles P-C4'-P energy: -46.818
tors. eta vs tors. theta energy: -68.914
Dist. restrs. and SS energy: -192.600 (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: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1090.732524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.732524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.332524 (E_RNA)
where:
Base-Base interactions energy: -614.748
where: short stacking energy: -230.421
Base-Backbone interact. energy: 2.057
local terms energy: -265.641595
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -75.233
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -57.388
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -922.842131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.842131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.642131 (E_RNA)
where:
Base-Base interactions energy: -527.508
where: short stacking energy: -212.895
Base-Backbone interact. energy: 4.315
local terms energy: -239.448862
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -61.663
flat angles C4'-P-C4' energy: -46.225
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -42.666
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1456.366233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.366233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.566233 (E_RNA)
where:
Base-Base interactions energy: -867.302
where: short stacking energy: -346.127
Base-Backbone interact. energy: -1.086
local terms energy: -379.178437
where:
bonds (distance) C4'-P energy: -76.055
bonds (distance) P-C4' energy: -72.502
flat angles C4'-P-C4' energy: -80.599
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -91.657
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1427.421496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.021496 (E_RNA)
where:
Base-Base interactions energy: -854.577
where: short stacking energy: -332.719
Base-Backbone interact. energy: -2.254
local terms energy: -367.190926
where:
bonds (distance) C4'-P energy: -71.340
bonds (distance) P-C4' energy: -77.242
flat angles C4'-P-C4' energy: -80.769
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: -81.504
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1387.983600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.983600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.583600 (E_RNA)
where:
Base-Base interactions energy: -826.374
where: short stacking energy: -322.053
Base-Backbone interact. energy: -4.159
local terms energy: -345.050516
where:
bonds (distance) C4'-P energy: -66.674
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -74.606
flat angles P-C4'-P energy: -53.357
tors. eta vs tors. theta energy: -79.073
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1346.900133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.900133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.500133 (E_RNA)
where:
Base-Base interactions energy: -796.752
where: short stacking energy: -309.046
Base-Backbone interact. energy: -0.175
local terms energy: -337.572515
where:
bonds (distance) C4'-P energy: -52.302
bonds (distance) P-C4' energy: -75.848
flat angles C4'-P-C4' energy: -83.748
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -86.189
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1281.627231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.627231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.627231 (E_RNA)
where:
Base-Base interactions energy: -733.640
where: short stacking energy: -302.425
Base-Backbone interact. energy: -0.028
local terms energy: -331.959692
where:
bonds (distance) C4'-P energy: -67.929
bonds (distance) P-C4' energy: -71.977
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -43.642
tors. eta vs tors. theta energy: -76.150
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1265.788211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.788211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.788211 (E_RNA)
where:
Base-Base interactions energy: -710.880
where: short stacking energy: -293.401
Base-Backbone interact. energy: -0.998
local terms energy: -337.910855
where:
bonds (distance) C4'-P energy: -66.052
bonds (distance) P-C4' energy: -73.372
flat angles C4'-P-C4' energy: -70.323
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -76.269
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1256.319036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.319036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.719036 (E_RNA)
where:
Base-Base interactions energy: -727.076
where: short stacking energy: -287.146
Base-Backbone interact. energy: -1.949
local terms energy: -334.693324
where:
bonds (distance) C4'-P energy: -59.080
bonds (distance) P-C4' energy: -70.548
flat angles C4'-P-C4' energy: -66.747
flat angles P-C4'-P energy: -54.045
tors. eta vs tors. theta energy: -84.274
Dist. restrs. and SS energy: -192.600 (S_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: 279
Temperature: 1.250000
Total energy: -1141.838189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.838189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.438189 (E_RNA)
where:
Base-Base interactions energy: -668.934
where: short stacking energy: -267.678
Base-Backbone interact. energy: -1.516
local terms energy: -276.988057
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -62.132
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -38.669
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1131.049874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.049874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.049874 (E_RNA)
where:
Base-Base interactions energy: -624.501
where: short stacking energy: -253.727
Base-Backbone interact. energy: 1.371
local terms energy: -291.920187
where:
bonds (distance) C4'-P energy: -54.995
bonds (distance) P-C4' energy: -74.955
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -67.074
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -933.129550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.129550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.529550 (E_RNA)
where:
Base-Base interactions energy: -545.871
where: short stacking energy: -235.975
Base-Backbone interact. energy: -0.801
local terms energy: -229.857010
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -55.481
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1467.962968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.962968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.962968 (E_RNA)
where:
Base-Base interactions energy: -875.553
where: short stacking energy: -343.551
Base-Backbone interact. energy: -1.385
local terms energy: -384.025845
where:
bonds (distance) C4'-P energy: -78.206
bonds (distance) P-C4' energy: -71.928
flat angles C4'-P-C4' energy: -79.727
flat angles P-C4'-P energy: -55.963
tors. eta vs tors. theta energy: -98.202
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1427.505095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.505095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.105095 (E_RNA)
where:
Base-Base interactions energy: -854.062
where: short stacking energy: -345.018
Base-Backbone interact. energy: 3.903
local terms energy: -373.946028
where:
bonds (distance) C4'-P energy: -82.573
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -79.077
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -92.190
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1394.106291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.706291 (E_RNA)
where:
Base-Base interactions energy: -839.757
where: short stacking energy: -350.065
Base-Backbone interact. energy: 0.221
local terms energy: -342.170370
where:
bonds (distance) C4'-P energy: -62.567
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -74.706
flat angles P-C4'-P energy: -47.478
tors. eta vs tors. theta energy: -90.289
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1355.949023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.949023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.549023 (E_RNA)
where:
Base-Base interactions energy: -828.359
where: short stacking energy: -313.403
Base-Backbone interact. energy: -3.524
local terms energy: -311.666384
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -50.792
tors. eta vs tors. theta energy: -74.784
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1296.802588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.802588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.002588 (E_RNA)
where:
Base-Base interactions energy: -748.078
where: short stacking energy: -313.508
Base-Backbone interact. energy: 0.682
local terms energy: -331.605998
where:
bonds (distance) C4'-P energy: -74.421
bonds (distance) P-C4' energy: -56.980
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -82.512
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1244.753488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.753488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.553488 (E_RNA)
where:
Base-Base interactions energy: -718.553
where: short stacking energy: -293.381
Base-Backbone interact. energy: -0.547
local terms energy: -311.453509
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -54.993
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -71.128
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1254.724664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.724664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.524664 (E_RNA)
where:
Base-Base interactions energy: -742.834
where: short stacking energy: -297.704
Base-Backbone interact. energy: -1.879
local terms energy: -313.811807
where:
bonds (distance) C4'-P energy: -51.902
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -72.372
flat angles P-C4'-P energy: -51.970
tors. eta vs tors. theta energy: -82.471
Dist. restrs. and SS energy: -196.200 (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: 280
Temperature: 1.250000
Total energy: -1141.762604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.762604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.362604 (E_RNA)
where:
Base-Base interactions energy: -660.567
where: short stacking energy: -236.944
Base-Backbone interact. energy: 1.431
local terms energy: -288.227122
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -61.715
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -66.783
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1111.281029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.281029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.881029 (E_RNA)
where:
Base-Base interactions energy: -629.803
where: short stacking energy: -240.251
Base-Backbone interact. energy: -0.462
local terms energy: -268.616042
where:
bonds (distance) C4'-P energy: -65.510
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -57.573
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -926.373526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.373526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.173526 (E_RNA)
where:
Base-Base interactions energy: -525.580
where: short stacking energy: -200.561
Base-Backbone interact. energy: 0.755
local terms energy: -250.348756
where:
bonds (distance) C4'-P energy: -56.796
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -49.359
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1480.015385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.015385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.815385 (E_RNA)
where:
Base-Base interactions energy: -882.624
where: short stacking energy: -369.461
Base-Backbone interact. energy: -1.154
local terms energy: -391.038239
where:
bonds (distance) C4'-P energy: -78.482
bonds (distance) P-C4' energy: -75.129
flat angles C4'-P-C4' energy: -78.873
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -97.649
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1431.652959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.652959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.052959 (E_RNA)
where:
Base-Base interactions energy: -867.993
where: short stacking energy: -364.545
Base-Backbone interact. energy: 0.876
local terms energy: -362.936677
where:
bonds (distance) C4'-P energy: -66.259
bonds (distance) P-C4' energy: -75.286
flat angles C4'-P-C4' energy: -75.843
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -100.877
Dist. restrs. and SS energy: -201.600 (S_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: 281
Temperature: 1.000000
Total energy: -1394.192254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.192254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.192254 (E_RNA)
where:
Base-Base interactions energy: -829.352
where: short stacking energy: -337.229
Base-Backbone interact. energy: 4.981
local terms energy: -353.821137
where:
bonds (distance) C4'-P energy: -80.056
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -70.300
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -87.365
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1335.767938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.767938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.367938 (E_RNA)
where:
Base-Base interactions energy: -769.459
where: short stacking energy: -315.156
Base-Backbone interact. energy: -2.150
local terms energy: -342.758917
where:
bonds (distance) C4'-P energy: -70.690
bonds (distance) P-C4' energy: -71.759
flat angles C4'-P-C4' energy: -75.824
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -79.637
Dist. restrs. and SS energy: -221.400 (S_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: 281
Temperature: 1.100000
Total energy: -1317.883541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.883541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.683541 (E_RNA)
where:
Base-Base interactions energy: -787.661
where: short stacking energy: -304.645
Base-Backbone interact. energy: 1.478
local terms energy: -317.501334
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -73.392
flat angles P-C4'-P energy: -44.576
tors. eta vs tors. theta energy: -77.442
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1274.607889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.607889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.807889 (E_RNA)
where:
Base-Base interactions energy: -755.201
where: short stacking energy: -308.742
Base-Backbone interact. energy: 1.676
local terms energy: -321.282624
where:
bonds (distance) C4'-P energy: -61.282
bonds (distance) P-C4' energy: -62.699
flat angles C4'-P-C4' energy: -67.024
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -84.762
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1229.267355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.267355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.667355 (E_RNA)
where:
Base-Base interactions energy: -716.228
where: short stacking energy: -292.939
Base-Backbone interact. energy: -2.470
local terms energy: -299.969237
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -70.990
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -51.287
tors. eta vs tors. theta energy: -72.226
Dist. restrs. and SS energy: -210.600 (S_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: 281
Temperature: 1.250000
Total energy: -1183.793386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.793386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.593386 (E_RNA)
where:
Base-Base interactions energy: -669.560
where: short stacking energy: -270.184
Base-Backbone interact. energy: 1.097
local terms energy: -310.130899
where:
bonds (distance) C4'-P energy: -60.431
bonds (distance) P-C4' energy: -70.696
flat angles C4'-P-C4' energy: -74.749
flat angles P-C4'-P energy: -35.935
tors. eta vs tors. theta energy: -68.320
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1101.955864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.955864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.355864 (E_RNA)
where:
Base-Base interactions energy: -633.867
where: short stacking energy: -234.061
Base-Backbone interact. energy: -0.911
local terms energy: -256.578158
where:
bonds (distance) C4'-P energy: -45.342
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -52.108
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -940.064151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.064151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.464151 (E_RNA)
where:
Base-Base interactions energy: -527.667
where: short stacking energy: -218.428
Base-Backbone interact. energy: -0.686
local terms energy: -255.110810
where:
bonds (distance) C4'-P energy: -64.137
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -67.698
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1452.736478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.736478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.136478 (E_RNA)
where:
Base-Base interactions energy: -856.296
where: short stacking energy: -362.484
Base-Backbone interact. energy: -2.014
local terms energy: -392.826710
where:
bonds (distance) C4'-P energy: -67.709
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -90.840
flat angles P-C4'-P energy: -58.879
tors. eta vs tors. theta energy: -98.882
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1447.092725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.092725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.292725 (E_RNA)
where:
Base-Base interactions energy: -851.263
where: short stacking energy: -342.568
Base-Backbone interact. energy: -1.974
local terms energy: -385.056393
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -79.251
flat angles C4'-P-C4' energy: -83.204
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -97.055
Dist. restrs. and SS energy: -208.800 (S_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: 282
Temperature: 1.000000
Total energy: -1434.907831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.907831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.507831 (E_RNA)
where:
Base-Base interactions energy: -850.065
where: short stacking energy: -352.316
Base-Backbone interact. energy: 2.974
local terms energy: -375.416817
where:
bonds (distance) C4'-P energy: -71.396
bonds (distance) P-C4' energy: -69.506
flat angles C4'-P-C4' energy: -74.035
flat angles P-C4'-P energy: -58.458
tors. eta vs tors. theta energy: -102.022
Dist. restrs. and SS energy: -212.400 (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: 282
Temperature: 1.050000
Total energy: -1315.390898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.390898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.790898 (E_RNA)
where:
Base-Base interactions energy: -775.292
where: short stacking energy: -302.797
Base-Backbone interact. energy: -1.156
local terms energy: -319.343203
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -71.994
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -83.579
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1315.595699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.595699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.795699 (E_RNA)
where:
Base-Base interactions energy: -773.674
where: short stacking energy: -320.210
Base-Backbone interact. energy: 0.384
local terms energy: -342.506196
where:
bonds (distance) C4'-P energy: -62.926
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -77.286
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -86.284
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1265.098935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.098935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.698935 (E_RNA)
where:
Base-Base interactions energy: -770.544
where: short stacking energy: -294.063
Base-Backbone interact. energy: -2.453
local terms energy: -279.701224
where:
bonds (distance) C4'-P energy: -66.954
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -41.690
tors. eta vs tors. theta energy: -69.918
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1212.307177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.307177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.907177 (E_RNA)
where:
Base-Base interactions energy: -692.622
where: short stacking energy: -273.782
Base-Backbone interact. energy: -1.858
local terms energy: -305.427332
where:
bonds (distance) C4'-P energy: -60.642
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -73.218
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -72.791
Dist. restrs. and SS energy: -212.400 (S_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: 282
Temperature: 1.250000
Total energy: -1175.656215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.656215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.456215 (E_RNA)
where:
Base-Base interactions energy: -694.340
where: short stacking energy: -262.541
Base-Backbone interact. energy: -0.303
local terms energy: -284.813216
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -64.343
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -55.473
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1115.703229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.703229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.103229 (E_RNA)
where:
Base-Base interactions energy: -642.060
where: short stacking energy: -260.373
Base-Backbone interact. energy: -1.896
local terms energy: -261.147257
where:
bonds (distance) C4'-P energy: -54.509
bonds (distance) P-C4' energy: -52.283
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -43.729
tors. eta vs tors. theta energy: -54.782
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -942.184972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.184972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.184972 (E_RNA)
where:
Base-Base interactions energy: -530.481
where: short stacking energy: -216.060
Base-Backbone interact. energy: 1.362
local terms energy: -251.065120
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -63.596
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -44.812
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1491.981747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.981747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.581747 (E_RNA)
where:
Base-Base interactions energy: -892.236
where: short stacking energy: -364.520
Base-Backbone interact. energy: -2.397
local terms energy: -393.948588
where:
bonds (distance) C4'-P energy: -68.686
bonds (distance) P-C4' energy: -78.264
flat angles C4'-P-C4' energy: -92.864
flat angles P-C4'-P energy: -50.445
tors. eta vs tors. theta energy: -103.689
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1435.504950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.504950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.904950 (E_RNA)
where:
Base-Base interactions energy: -865.500
where: short stacking energy: -355.121
Base-Backbone interact. energy: 0.279
local terms energy: -359.683272
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -82.204
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -93.909
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1429.503771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.503771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.703771 (E_RNA)
where:
Base-Base interactions energy: -848.243
where: short stacking energy: -333.626
Base-Backbone interact. energy: -2.705
local terms energy: -369.755935
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -73.263
flat angles C4'-P-C4' energy: -74.252
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -97.215
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1326.283030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.283030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.483030 (E_RNA)
where:
Base-Base interactions energy: -762.360
where: short stacking energy: -321.772
Base-Backbone interact. energy: -0.887
local terms energy: -354.235343
where:
bonds (distance) C4'-P energy: -59.372
bonds (distance) P-C4' energy: -75.722
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -80.841
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1286.758907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.758907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.758907 (E_RNA)
where:
Base-Base interactions energy: -771.708
where: short stacking energy: -316.548
Base-Backbone interact. energy: -1.346
local terms energy: -315.705106
where:
bonds (distance) C4'-P energy: -64.247
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -71.310
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -79.894
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1268.366534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.366534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.566534 (E_RNA)
where:
Base-Base interactions energy: -757.342
where: short stacking energy: -288.855
Base-Backbone interact. energy: -0.392
local terms energy: -301.832382
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -72.506
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1235.605067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.605067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.205067 (E_RNA)
where:
Base-Base interactions energy: -727.717
where: short stacking energy: -289.368
Base-Backbone interact. energy: -0.470
local terms energy: -295.017771
where:
bonds (distance) C4'-P energy: -56.675
bonds (distance) P-C4' energy: -59.948
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -46.605
tors. eta vs tors. theta energy: -68.953
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1162.266276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.266276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.466276 (E_RNA)
where:
Base-Base interactions energy: -662.768
where: short stacking energy: -238.682
Base-Backbone interact. energy: -1.283
local terms energy: -289.414374
where:
bonds (distance) C4'-P energy: -57.805
bonds (distance) P-C4' energy: -59.628
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -39.088
tors. eta vs tors. theta energy: -65.887
Dist. restrs. and SS energy: -208.800 (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: 283
Temperature: 1.300000
Total energy: -1120.495420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.495420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.295420 (E_RNA)
where:
Base-Base interactions energy: -629.077
where: short stacking energy: -254.741
Base-Backbone interact. energy: -0.595
local terms energy: -294.623742
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -71.358
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -35.005
tors. eta vs tors. theta energy: -71.570
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -945.082050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.082050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.282050 (E_RNA)
where:
Base-Base interactions energy: -528.702
where: short stacking energy: -214.291
Base-Backbone interact. energy: 1.618
local terms energy: -254.198339
where:
bonds (distance) C4'-P energy: -58.760
bonds (distance) P-C4' energy: -57.315
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -34.233
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1465.008075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.008075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.608075 (E_RNA)
where:
Base-Base interactions energy: -880.740
where: short stacking energy: -335.601
Base-Backbone interact. energy: -3.435
local terms energy: -377.433548
where:
bonds (distance) C4'-P energy: -75.147
bonds (distance) P-C4' energy: -67.026
flat angles C4'-P-C4' energy: -84.710
flat angles P-C4'-P energy: -56.660
tors. eta vs tors. theta energy: -93.891
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1443.908714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.908714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.508714 (E_RNA)
where:
Base-Base interactions energy: -858.127
where: short stacking energy: -350.972
Base-Backbone interact. energy: 2.818
local terms energy: -376.199996
where:
bonds (distance) C4'-P energy: -77.212
bonds (distance) P-C4' energy: -75.042
flat angles C4'-P-C4' energy: -82.176
flat angles P-C4'-P energy: -50.216
tors. eta vs tors. theta energy: -91.553
Dist. restrs. and SS energy: -212.400 (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: 284
Temperature: 1.000000
Total energy: -1388.955056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.955056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.155056 (E_RNA)
where:
Base-Base interactions energy: -817.174
where: short stacking energy: -307.802
Base-Backbone interact. energy: 1.236
local terms energy: -364.217057
where:
bonds (distance) C4'-P energy: -65.244
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -84.719
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -89.269
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1344.820741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.820741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.620741 (E_RNA)
where:
Base-Base interactions energy: -801.375
where: short stacking energy: -329.207
Base-Backbone interact. energy: 0.528
local terms energy: -329.773766
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -65.541
flat angles P-C4'-P energy: -57.743
tors. eta vs tors. theta energy: -76.460
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1285.742628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.742628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.342628 (E_RNA)
where:
Base-Base interactions energy: -780.558
where: short stacking energy: -314.500
Base-Backbone interact. energy: 0.412
local terms energy: -311.197101
where:
bonds (distance) C4'-P energy: -57.544
bonds (distance) P-C4' energy: -72.372
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -74.630
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1246.997810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.997810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.797810 (E_RNA)
where:
Base-Base interactions energy: -730.829
where: short stacking energy: -284.109
Base-Backbone interact. energy: -1.367
local terms energy: -300.601093
where:
bonds (distance) C4'-P energy: -59.083
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -63.151
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -68.807
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1238.274418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.274418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.674418 (E_RNA)
where:
Base-Base interactions energy: -713.726
where: short stacking energy: -283.179
Base-Backbone interact. energy: 1.480
local terms energy: -315.429012
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -70.738
flat angles C4'-P-C4' energy: -69.128
flat angles P-C4'-P energy: -45.196
tors. eta vs tors. theta energy: -64.454
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1145.460698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.460698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.460698 (E_RNA)
where:
Base-Base interactions energy: -632.214
where: short stacking energy: -243.965
Base-Backbone interact. energy: -0.187
local terms energy: -297.059667
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -70.448
flat angles P-C4'-P energy: -45.634
tors. eta vs tors. theta energy: -53.916
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1129.225490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.225490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.025490 (E_RNA)
where:
Base-Base interactions energy: -641.312
where: short stacking energy: -258.873
Base-Backbone interact. energy: -1.727
local terms energy: -289.986533
where:
bonds (distance) C4'-P energy: -59.492
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -60.461
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -964.326771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.326771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.326771 (E_RNA)
where:
Base-Base interactions energy: -561.707
where: short stacking energy: -221.387
Base-Backbone interact. energy: 0.415
local terms energy: -241.034880
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -59.393
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -41.287
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1450.986683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.986683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.786683 (E_RNA)
where:
Base-Base interactions energy: -867.535
where: short stacking energy: -338.253
Base-Backbone interact. energy: -1.315
local terms energy: -376.936469
where:
bonds (distance) C4'-P energy: -75.698
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -96.252
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1424.524746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.524746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.324746 (E_RNA)
where:
Base-Base interactions energy: -837.020
where: short stacking energy: -346.524
Base-Backbone interact. energy: -1.367
local terms energy: -380.937644
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -73.501
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -58.671
tors. eta vs tors. theta energy: -94.176
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1396.754704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.754704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.554704 (E_RNA)
where:
Base-Base interactions energy: -834.733
where: short stacking energy: -337.408
Base-Backbone interact. energy: -2.434
local terms energy: -345.387714
where:
bonds (distance) C4'-P energy: -64.024
bonds (distance) P-C4' energy: -65.382
flat angles C4'-P-C4' energy: -71.175
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -95.436
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1341.210047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.010047 (E_RNA)
where:
Base-Base interactions energy: -793.549
where: short stacking energy: -327.953
Base-Backbone interact. energy: 0.143
local terms energy: -333.603640
where:
bonds (distance) C4'-P energy: -74.080
bonds (distance) P-C4' energy: -65.815
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -39.195
tors. eta vs tors. theta energy: -80.509
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1307.146650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.146650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.946650 (E_RNA)
where:
Base-Base interactions energy: -789.635
where: short stacking energy: -330.284
Base-Backbone interact. energy: -2.431
local terms energy: -318.880973
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -65.578
flat angles C4'-P-C4' energy: -74.534
flat angles P-C4'-P energy: -38.335
tors. eta vs tors. theta energy: -88.668
Dist. restrs. and SS energy: -196.200 (S_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: 285
Temperature: 1.150000
Total energy: -1301.114545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.114545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.514545 (E_RNA)
where:
Base-Base interactions energy: -770.419
where: short stacking energy: -293.198
Base-Backbone interact. energy: 2.843
local terms energy: -322.939083
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -75.980
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -75.507
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1241.139854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.139854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.139854 (E_RNA)
where:
Base-Base interactions energy: -708.013
where: short stacking energy: -283.589
Base-Backbone interact. energy: -1.672
local terms energy: -315.455512
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -56.846
flat angles C4'-P-C4' energy: -81.033
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -74.192
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1142.137145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.137145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.137145 (E_RNA)
where:
Base-Base interactions energy: -643.354
where: short stacking energy: -247.087
Base-Backbone interact. energy: 2.649
local terms energy: -294.432431
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -69.607
flat angles C4'-P-C4' energy: -66.129
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -60.193
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1122.419134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.419134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.619134 (E_RNA)
where:
Base-Base interactions energy: -650.490
where: short stacking energy: -261.032
Base-Backbone interact. energy: -1.439
local terms energy: -279.690581
where:
bonds (distance) C4'-P energy: -47.786
bonds (distance) P-C4' energy: -61.914
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -67.677
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -934.223832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.223832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.223832 (E_RNA)
where:
Base-Base interactions energy: -524.999
where: short stacking energy: -209.363
Base-Backbone interact. energy: -2.362
local terms energy: -253.863217
where:
bonds (distance) C4'-P energy: -50.819
bonds (distance) P-C4' energy: -56.837
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -43.603
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1475.550186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.550186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.350186 (E_RNA)
where:
Base-Base interactions energy: -879.346
where: short stacking energy: -342.470
Base-Backbone interact. energy: -2.383
local terms energy: -388.620788
where:
bonds (distance) C4'-P energy: -77.048
bonds (distance) P-C4' energy: -77.681
flat angles C4'-P-C4' energy: -85.782
flat angles P-C4'-P energy: -53.943
tors. eta vs tors. theta energy: -94.167
Dist. restrs. and SS energy: -205.200 (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: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1443.758666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.758666 (E_RNA)
where:
Base-Base interactions energy: -862.927
where: short stacking energy: -348.720
Base-Backbone interact. energy: -3.386
local terms energy: -370.446021
where:
bonds (distance) C4'-P energy: -69.891
bonds (distance) P-C4' energy: -73.338
flat angles C4'-P-C4' energy: -82.049
flat angles P-C4'-P energy: -50.815
tors. eta vs tors. theta energy: -94.353
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1413.169306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.169306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.369306 (E_RNA)
where:
Base-Base interactions energy: -840.412
where: short stacking energy: -337.475
Base-Backbone interact. energy: -2.440
local terms energy: -361.517026
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -71.824
flat angles C4'-P-C4' energy: -74.203
flat angles P-C4'-P energy: -57.889
tors. eta vs tors. theta energy: -96.720
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1322.388746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.388746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.988746 (E_RNA)
where:
Base-Base interactions energy: -750.174
where: short stacking energy: -319.861
Base-Backbone interact. energy: -0.196
local terms energy: -359.619398
where:
bonds (distance) C4'-P energy: -63.463
bonds (distance) P-C4' energy: -75.824
flat angles C4'-P-C4' energy: -76.394
flat angles P-C4'-P energy: -57.907
tors. eta vs tors. theta energy: -86.031
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1303.269682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.269682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.469682 (E_RNA)
where:
Base-Base interactions energy: -784.472
where: short stacking energy: -324.367
Base-Backbone interact. energy: -3.347
local terms energy: -315.650114
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -55.982
flat angles C4'-P-C4' energy: -66.274
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -86.715
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1284.649418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.649418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.249418 (E_RNA)
where:
Base-Base interactions energy: -740.428
where: short stacking energy: -288.334
Base-Backbone interact. energy: -0.919
local terms energy: -330.902073
where:
bonds (distance) C4'-P energy: -62.427
bonds (distance) P-C4' energy: -74.730
flat angles C4'-P-C4' energy: -65.647
flat angles P-C4'-P energy: -50.342
tors. eta vs tors. theta energy: -77.755
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1241.503954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.503954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.903954 (E_RNA)
where:
Base-Base interactions energy: -714.518
where: short stacking energy: -299.880
Base-Backbone interact. energy: -0.876
local terms energy: -315.509743
where:
bonds (distance) C4'-P energy: -62.914
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -68.349
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -84.592
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1090.729926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.729926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.729926 (E_RNA)
where:
Base-Base interactions energy: -639.855
where: short stacking energy: -236.030
Base-Backbone interact. energy: 3.123
local terms energy: -255.997832
where:
bonds (distance) C4'-P energy: -47.345
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -58.798
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -54.650
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1128.591601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.591601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.391601 (E_RNA)
where:
Base-Base interactions energy: -656.264
where: short stacking energy: -247.080
Base-Backbone interact. energy: -0.721
local terms energy: -275.406758
where:
bonds (distance) C4'-P energy: -52.434
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -936.933926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.933926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.333926 (E_RNA)
where:
Base-Base interactions energy: -522.019
where: short stacking energy: -207.663
Base-Backbone interact. energy: -1.476
local terms energy: -256.839084
where:
bonds (distance) C4'-P energy: -56.441
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -35.282
tors. eta vs tors. theta energy: -44.393
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1465.878927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.878927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.078927 (E_RNA)
where:
Base-Base interactions energy: -880.550
where: short stacking energy: -346.458
Base-Backbone interact. energy: -2.129
local terms energy: -383.400409
where:
bonds (distance) C4'-P energy: -75.626
bonds (distance) P-C4' energy: -83.049
flat angles C4'-P-C4' energy: -79.739
flat angles P-C4'-P energy: -58.421
tors. eta vs tors. theta energy: -86.564
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1432.653007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.653007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.253007 (E_RNA)
where:
Base-Base interactions energy: -867.089
where: short stacking energy: -351.899
Base-Backbone interact. energy: -3.298
local terms energy: -358.865667
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -69.015
flat angles C4'-P-C4' energy: -82.806
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -99.737
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1398.457414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.457414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.057414 (E_RNA)
where:
Base-Base interactions energy: -833.544
where: short stacking energy: -317.247
Base-Backbone interact. energy: 2.487
local terms energy: -355.000909
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -77.124
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -53.709
tors. eta vs tors. theta energy: -89.808
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1313.444381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.444381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.844381 (E_RNA)
where:
Base-Base interactions energy: -762.959
where: short stacking energy: -317.339
Base-Backbone interact. energy: -0.440
local terms energy: -357.445739
where:
bonds (distance) C4'-P energy: -77.293
bonds (distance) P-C4' energy: -68.245
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -89.023
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1282.952199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.952199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.552199 (E_RNA)
where:
Base-Base interactions energy: -729.135
where: short stacking energy: -293.390
Base-Backbone interact. energy: 0.831
local terms energy: -342.248203
where:
bonds (distance) C4'-P energy: -75.430
bonds (distance) P-C4' energy: -68.896
flat angles C4'-P-C4' energy: -68.842
flat angles P-C4'-P energy: -45.825
tors. eta vs tors. theta energy: -83.255
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1251.945758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.945758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.745758 (E_RNA)
where:
Base-Base interactions energy: -734.033
where: short stacking energy: -287.077
Base-Backbone interact. energy: -2.860
local terms energy: -300.852533
where:
bonds (distance) C4'-P energy: -63.783
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -71.784
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -69.338
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1238.745406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.745406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.145406 (E_RNA)
where:
Base-Base interactions energy: -722.821
where: short stacking energy: -293.234
Base-Backbone interact. energy: 0.677
local terms energy: -306.001096
where:
bonds (distance) C4'-P energy: -62.705
bonds (distance) P-C4' energy: -60.623
flat angles C4'-P-C4' energy: -65.032
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -73.993
Dist. restrs. and SS energy: -210.600 (S_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: 287
Temperature: 1.250000
Total energy: -1148.440995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.440995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.240995 (E_RNA)
where:
Base-Base interactions energy: -669.344
where: short stacking energy: -266.541
Base-Backbone interact. energy: -0.947
local terms energy: -281.950244
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -67.015
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1090.050446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.050446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.850446 (E_RNA)
where:
Base-Base interactions energy: -620.368
where: short stacking energy: -241.687
Base-Backbone interact. energy: 4.036
local terms energy: -277.518401
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -74.968
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -52.316
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -948.272160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.272160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.472160 (E_RNA)
where:
Base-Base interactions energy: -528.161
where: short stacking energy: -218.043
Base-Backbone interact. energy: -2.688
local terms energy: -262.622663
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -60.854
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1450.641790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.641790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.441790 (E_RNA)
where:
Base-Base interactions energy: -862.652
where: short stacking energy: -351.923
Base-Backbone interact. energy: -2.180
local terms energy: -380.610247
where:
bonds (distance) C4'-P energy: -71.711
bonds (distance) P-C4' energy: -78.130
flat angles C4'-P-C4' energy: -69.684
flat angles P-C4'-P energy: -61.478
tors. eta vs tors. theta energy: -99.607
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1421.650309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.650309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.850309 (E_RNA)
where:
Base-Base interactions energy: -858.663
where: short stacking energy: -335.864
Base-Backbone interact. energy: -3.512
local terms energy: -359.675864
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -73.556
flat angles C4'-P-C4' energy: -85.722
flat angles P-C4'-P energy: -48.978
tors. eta vs tors. theta energy: -92.481
Dist. restrs. and SS energy: -199.800 (S_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: 288
Temperature: 1.000000
Total energy: -1386.266864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.266864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.866864 (E_RNA)
where:
Base-Base interactions energy: -826.386
where: short stacking energy: -332.460
Base-Backbone interact. energy: 1.622
local terms energy: -349.102881
where:
bonds (distance) C4'-P energy: -68.293
bonds (distance) P-C4' energy: -66.023
flat angles C4'-P-C4' energy: -70.540
flat angles P-C4'-P energy: -52.574
tors. eta vs tors. theta energy: -91.673
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1325.731125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.731125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.731125 (E_RNA)
where:
Base-Base interactions energy: -776.789
where: short stacking energy: -323.349
Base-Backbone interact. energy: -1.922
local terms energy: -349.020445
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -81.394
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -82.547
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1285.441553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.441553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.041553 (E_RNA)
where:
Base-Base interactions energy: -734.945
where: short stacking energy: -311.333
Base-Backbone interact. energy: 1.539
local terms energy: -339.635719
where:
bonds (distance) C4'-P energy: -66.131
bonds (distance) P-C4' energy: -65.207
flat angles C4'-P-C4' energy: -76.398
flat angles P-C4'-P energy: -46.981
tors. eta vs tors. theta energy: -84.920
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1241.617891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.617891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.617891 (E_RNA)
where:
Base-Base interactions energy: -710.175
where: short stacking energy: -276.162
Base-Backbone interact. energy: 0.257
local terms energy: -315.699555
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -61.683
flat angles C4'-P-C4' energy: -65.229
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -75.052
Dist. restrs. and SS energy: -216.000 (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: 288
Temperature: 1.200000
Total energy: -1222.322410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.322410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.322410 (E_RNA)
where:
Base-Base interactions energy: -711.669
where: short stacking energy: -283.420
Base-Backbone interact. energy: -0.161
local terms energy: -294.492426
where:
bonds (distance) C4'-P energy: -45.338
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -73.945
flat angles P-C4'-P energy: -43.755
tors. eta vs tors. theta energy: -69.211
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1157.181189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.181189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.381189 (E_RNA)
where:
Base-Base interactions energy: -662.315
where: short stacking energy: -270.590
Base-Backbone interact. energy: 0.918
local terms energy: -295.983533
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -67.281
flat angles P-C4'-P energy: -42.826
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1086.178381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.178381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.378381 (E_RNA)
where:
Base-Base interactions energy: -620.623
where: short stacking energy: -251.906
Base-Backbone interact. energy: 2.084
local terms energy: -267.838671
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -35.914
tors. eta vs tors. theta energy: -55.212
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -904.732341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.732341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.732341 (E_RNA)
where:
Base-Base interactions energy: -502.319
where: short stacking energy: -207.837
Base-Backbone interact. energy: -0.438
local terms energy: -248.974875
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -60.641
flat angles C4'-P-C4' energy: -63.482
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1453.320277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.320277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.120277 (E_RNA)
where:
Base-Base interactions energy: -862.038
where: short stacking energy: -353.518
Base-Backbone interact. energy: -0.858
local terms energy: -385.224458
where:
bonds (distance) C4'-P energy: -78.985
bonds (distance) P-C4' energy: -71.200
flat angles C4'-P-C4' energy: -78.251
flat angles P-C4'-P energy: -61.572
tors. eta vs tors. theta energy: -95.217
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1436.631338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.231338 (E_RNA)
where:
Base-Base interactions energy: -855.572
where: short stacking energy: -351.301
Base-Backbone interact. energy: -2.090
local terms energy: -375.569977
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -75.530
flat angles C4'-P-C4' energy: -79.931
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -101.025
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1381.059881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.059881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.659881 (E_RNA)
where:
Base-Base interactions energy: -804.684
where: short stacking energy: -320.079
Base-Backbone interact. energy: -2.989
local terms energy: -360.986498
where:
bonds (distance) C4'-P energy: -72.593
bonds (distance) P-C4' energy: -72.476
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -56.405
tors. eta vs tors. theta energy: -83.505
Dist. restrs. and SS energy: -212.400 (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: 289
Temperature: 1.050000
Total energy: -1319.857201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.857201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.057201 (E_RNA)
where:
Base-Base interactions energy: -747.371
where: short stacking energy: -327.884
Base-Backbone interact. energy: -2.041
local terms energy: -361.645435
where:
bonds (distance) C4'-P energy: -70.829
bonds (distance) P-C4' energy: -67.497
flat angles C4'-P-C4' energy: -81.368
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -89.281
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1284.478199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.478199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.678199 (E_RNA)
where:
Base-Base interactions energy: -752.195
where: short stacking energy: -299.433
Base-Backbone interact. energy: 0.609
local terms energy: -333.092439
where:
bonds (distance) C4'-P energy: -62.822
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -77.555
flat angles P-C4'-P energy: -48.645
tors. eta vs tors. theta energy: -76.373
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1255.096084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.096084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.696084 (E_RNA)
where:
Base-Base interactions energy: -710.897
where: short stacking energy: -290.092
Base-Backbone interact. energy: -1.525
local terms energy: -330.273667
where:
bonds (distance) C4'-P energy: -66.410
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -65.442
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -82.145
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1236.654577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.654577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.654577 (E_RNA)
where:
Base-Base interactions energy: -700.566
where: short stacking energy: -273.216
Base-Backbone interact. energy: -0.841
local terms energy: -319.246979
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -69.543
flat angles C4'-P-C4' energy: -68.058
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -72.470
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1153.772995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.772995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.172995 (E_RNA)
where:
Base-Base interactions energy: -673.725
where: short stacking energy: -265.042
Base-Backbone interact. energy: 1.319
local terms energy: -288.766798
where:
bonds (distance) C4'-P energy: -54.170
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -70.066
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -69.782
Dist. restrs. and SS energy: -192.600 (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: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1081.787546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.787546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.587546 (E_RNA)
where:
Base-Base interactions energy: -616.369
where: short stacking energy: -255.151
Base-Backbone interact. energy: 8.842
local terms energy: -278.061005
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -64.945
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -906.960587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.960587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.960587 (E_RNA)
where:
Base-Base interactions energy: -513.667
where: short stacking energy: -223.336
Base-Backbone interact. energy: 0.346
local terms energy: -240.639754
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1453.983207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.983207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.983207 (E_RNA)
where:
Base-Base interactions energy: -881.313
where: short stacking energy: -352.914
Base-Backbone interact. energy: -1.015
local terms energy: -373.655597
where:
bonds (distance) C4'-P energy: -72.357
bonds (distance) P-C4' energy: -70.822
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -104.054
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1432.646751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.646751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.246751 (E_RNA)
where:
Base-Base interactions energy: -854.267
where: short stacking energy: -345.236
Base-Backbone interact. energy: -0.396
local terms energy: -374.583873
where:
bonds (distance) C4'-P energy: -76.871
bonds (distance) P-C4' energy: -68.326
flat angles C4'-P-C4' energy: -82.339
flat angles P-C4'-P energy: -51.917
tors. eta vs tors. theta energy: -95.130
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1394.812300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.812300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.612300 (E_RNA)
where:
Base-Base interactions energy: -812.781
where: short stacking energy: -333.596
Base-Backbone interact. energy: -2.657
local terms energy: -365.173708
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -61.932
flat angles C4'-P-C4' energy: -78.371
flat angles P-C4'-P energy: -59.382
tors. eta vs tors. theta energy: -92.676
Dist. restrs. and SS energy: -214.200 (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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1300.651790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.651790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.051790 (E_RNA)
where:
Base-Base interactions energy: -756.331
where: short stacking energy: -326.533
Base-Backbone interact. energy: -1.937
local terms energy: -331.784181
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -70.072
flat angles C4'-P-C4' energy: -78.797
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1302.668151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.668151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.868151 (E_RNA)
where:
Base-Base interactions energy: -794.082
where: short stacking energy: -316.322
Base-Backbone interact. energy: -1.563
local terms energy: -307.223953
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -84.646
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1235.264834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.264834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.664834 (E_RNA)
where:
Base-Base interactions energy: -689.946
where: short stacking energy: -275.787
Base-Backbone interact. energy: 0.575
local terms energy: -326.293522
where:
bonds (distance) C4'-P energy: -71.292
bonds (distance) P-C4' energy: -71.374
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -48.913
tors. eta vs tors. theta energy: -77.398
Dist. restrs. and SS energy: -219.600 (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: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1171.380411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.380411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.980411 (E_RNA)
where:
Base-Base interactions energy: -663.634
where: short stacking energy: -264.348
Base-Backbone interact. energy: -1.600
local terms energy: -302.746431
where:
bonds (distance) C4'-P energy: -64.667
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -71.059
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1229.706750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.706750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.906750 (E_RNA)
where:
Base-Base interactions energy: -708.019
where: short stacking energy: -274.225
Base-Backbone interact. energy: 2.416
local terms energy: -306.304206
where:
bonds (distance) C4'-P energy: -65.869
bonds (distance) P-C4' energy: -59.089
flat angles C4'-P-C4' energy: -79.428
flat angles P-C4'-P energy: -43.298
tors. eta vs tors. theta energy: -58.620
Dist. restrs. and SS energy: -217.800 (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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1062.630817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.630817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.430817 (E_RNA)
where:
Base-Base interactions energy: -619.895
where: short stacking energy: -236.960
Base-Backbone interact. energy: 7.319
local terms energy: -253.854277
where:
bonds (distance) C4'-P energy: -39.681
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -66.765
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -899.513609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.513609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.313609 (E_RNA)
where:
Base-Base interactions energy: -507.338
where: short stacking energy: -203.968
Base-Backbone interact. energy: -1.868
local terms energy: -239.108058
where:
bonds (distance) C4'-P energy: -60.717
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -33.225
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1450.453512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.453512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.053512 (E_RNA)
where:
Base-Base interactions energy: -862.246
where: short stacking energy: -360.363
Base-Backbone interact. energy: -2.079
local terms energy: -382.728817
where:
bonds (distance) C4'-P energy: -70.015
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -84.024
flat angles P-C4'-P energy: -57.489
tors. eta vs tors. theta energy: -101.643
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1440.972939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.972939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.772939 (E_RNA)
where:
Base-Base interactions energy: -845.306
where: short stacking energy: -346.170
Base-Backbone interact. energy: -3.183
local terms energy: -387.284627
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -78.484
flat angles C4'-P-C4' energy: -85.661
flat angles P-C4'-P energy: -55.500
tors. eta vs tors. theta energy: -98.887
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1376.233806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.233806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.233806 (E_RNA)
where:
Base-Base interactions energy: -791.707
where: short stacking energy: -312.679
Base-Backbone interact. energy: -1.068
local terms energy: -367.459353
where:
bonds (distance) C4'-P energy: -68.532
bonds (distance) P-C4' energy: -76.398
flat angles C4'-P-C4' energy: -83.290
flat angles P-C4'-P energy: -50.842
tors. eta vs tors. theta energy: -88.398
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1297.843470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.843470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.443470 (E_RNA)
where:
Base-Base interactions energy: -750.736
where: short stacking energy: -299.080
Base-Backbone interact. energy: -0.178
local terms energy: -334.530001
where:
bonds (distance) C4'-P energy: -66.895
bonds (distance) P-C4' energy: -60.084
flat angles C4'-P-C4' energy: -73.615
flat angles P-C4'-P energy: -51.270
tors. eta vs tors. theta energy: -82.666
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1292.524877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.524877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.524877 (E_RNA)
where:
Base-Base interactions energy: -751.848
where: short stacking energy: -287.324
Base-Backbone interact. energy: -1.024
local terms energy: -341.653284
where:
bonds (distance) C4'-P energy: -65.413
bonds (distance) P-C4' energy: -68.121
flat angles C4'-P-C4' energy: -79.988
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -73.106
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1216.074995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.074995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.074995 (E_RNA)
where:
Base-Base interactions energy: -691.821
where: short stacking energy: -269.393
Base-Backbone interact. energy: 2.853
local terms energy: -311.107190
where:
bonds (distance) C4'-P energy: -75.564
bonds (distance) P-C4' energy: -63.837
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -60.315
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1168.903939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.903939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.703939 (E_RNA)
where:
Base-Base interactions energy: -691.959
where: short stacking energy: -262.264
Base-Backbone interact. energy: -1.220
local terms energy: -279.524593
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -54.936
flat angles C4'-P-C4' energy: -65.742
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -64.306
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1212.195809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.195809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.795809 (E_RNA)
where:
Base-Base interactions energy: -694.028
where: short stacking energy: -280.392
Base-Backbone interact. energy: -1.119
local terms energy: -304.648982
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -69.224
flat angles C4'-P-C4' energy: -72.827
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -73.073
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1076.370568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.370568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.570568 (E_RNA)
where:
Base-Base interactions energy: -607.536
where: short stacking energy: -234.711
Base-Backbone interact. energy: -0.545
local terms energy: -268.490227
where:
bonds (distance) C4'-P energy: -47.213
bonds (distance) P-C4' energy: -55.985
flat angles C4'-P-C4' energy: -67.765
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -56.195
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -907.250333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.250333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.450333 (E_RNA)
where:
Base-Base interactions energy: -516.515
where: short stacking energy: -208.785
Base-Backbone interact. energy: 2.050
local terms energy: -237.984521
where:
bonds (distance) C4'-P energy: -65.291
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -51.772
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1443.861510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.861510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.861510 (E_RNA)
where:
Base-Base interactions energy: -853.651
where: short stacking energy: -341.225
Base-Backbone interact. energy: -3.277
local terms energy: -379.933643
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -68.433
flat angles C4'-P-C4' energy: -82.912
flat angles P-C4'-P energy: -58.112
tors. eta vs tors. theta energy: -97.667
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1415.436237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.436237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.636237 (E_RNA)
where:
Base-Base interactions energy: -849.385
where: short stacking energy: -362.379
Base-Backbone interact. energy: -1.435
local terms energy: -364.815949
where:
bonds (distance) C4'-P energy: -70.728
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -75.785
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -103.554
Dist. restrs. and SS energy: -199.800 (S_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: 292
Temperature: 1.000000
Total energy: -1374.148383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.148383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.748383 (E_RNA)
where:
Base-Base interactions energy: -815.167
where: short stacking energy: -324.334
Base-Backbone interact. energy: 2.618
local terms energy: -358.200103
where:
bonds (distance) C4'-P energy: -68.032
bonds (distance) P-C4' energy: -69.552
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -91.036
Dist. restrs. and SS energy: -203.400 (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: 292
Temperature: 1.050000
Total energy: -1300.797768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.797768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.797768 (E_RNA)
where:
Base-Base interactions energy: -762.321
where: short stacking energy: -316.827
Base-Backbone interact. energy: -1.733
local terms energy: -320.743860
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -71.050
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: -216.000 (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: 292
Temperature: 1.100000
Total energy: -1332.241180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.241180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.041180 (E_RNA)
where:
Base-Base interactions energy: -780.987
where: short stacking energy: -326.872
Base-Backbone interact. energy: 0.431
local terms energy: -355.484951
where:
bonds (distance) C4'-P energy: -66.967
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -74.793
flat angles P-C4'-P energy: -55.293
tors. eta vs tors. theta energy: -91.063
Dist. restrs. and SS energy: -196.200 (S_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: 292
Temperature: 1.150000
Total energy: -1234.647776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.647776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.047776 (E_RNA)
where:
Base-Base interactions energy: -710.122
where: short stacking energy: -283.436
Base-Backbone interact. energy: -1.742
local terms energy: -312.183881
where:
bonds (distance) C4'-P energy: -70.770
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -65.793
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -68.094
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1210.664997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.664997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.264997 (E_RNA)
where:
Base-Base interactions energy: -720.799
where: short stacking energy: -287.134
Base-Backbone interact. energy: -2.579
local terms energy: -274.887850
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -31.809
tors. eta vs tors. theta energy: -60.681
Dist. restrs. and SS energy: -212.400 (S_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: 292
Temperature: 1.250000
Total energy: -1150.765413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.765413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.565413 (E_RNA)
where:
Base-Base interactions energy: -659.360
where: short stacking energy: -255.642
Base-Backbone interact. energy: 0.748
local terms energy: -295.953203
where:
bonds (distance) C4'-P energy: -62.243
bonds (distance) P-C4' energy: -62.571
flat angles C4'-P-C4' energy: -71.744
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -56.947
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1085.751912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.751912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.751912 (E_RNA)
where:
Base-Base interactions energy: -603.291
where: short stacking energy: -231.817
Base-Backbone interact. energy: 0.135
local terms energy: -275.595988
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -53.680
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -887.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.171100 (E_RNA)
where:
Base-Base interactions energy: -493.972
where: short stacking energy: -191.127
Base-Backbone interact. energy: -0.497
local terms energy: -229.702206
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1461.506203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.506203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.706203 (E_RNA)
where:
Base-Base interactions energy: -878.876
where: short stacking energy: -360.761
Base-Backbone interact. energy: -2.574
local terms energy: -371.256176
where:
bonds (distance) C4'-P energy: -63.270
bonds (distance) P-C4' energy: -79.259
flat angles C4'-P-C4' energy: -77.004
flat angles P-C4'-P energy: -57.007
tors. eta vs tors. theta energy: -94.716
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1416.684330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.684330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.684330 (E_RNA)
where:
Base-Base interactions energy: -844.809
where: short stacking energy: -351.563
Base-Backbone interact. energy: 2.313
local terms energy: -358.188626
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -80.078
flat angles C4'-P-C4' energy: -79.356
flat angles P-C4'-P energy: -54.179
tors. eta vs tors. theta energy: -95.068
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1393.989436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.989436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.189436 (E_RNA)
where:
Base-Base interactions energy: -846.599
where: short stacking energy: -347.063
Base-Backbone interact. energy: 1.931
local terms energy: -349.522038
where:
bonds (distance) C4'-P energy: -61.697
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -54.580
tors. eta vs tors. theta energy: -93.382
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1330.379756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.379756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.979756 (E_RNA)
where:
Base-Base interactions energy: -790.081
where: short stacking energy: -328.775
Base-Backbone interact. energy: -0.932
local terms energy: -344.966836
where:
bonds (distance) C4'-P energy: -61.399
bonds (distance) P-C4' energy: -67.809
flat angles C4'-P-C4' energy: -73.509
flat angles P-C4'-P energy: -53.390
tors. eta vs tors. theta energy: -88.860
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -1237.957677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.957677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.957677 (E_RNA)
where:
Base-Base interactions energy: -727.914
where: short stacking energy: -281.357
Base-Backbone interact. energy: -2.973
local terms energy: -291.070128
where:
bonds (distance) C4'-P energy: -73.756
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -63.956
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1247.580024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.580024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.180024 (E_RNA)
where:
Base-Base interactions energy: -730.540
where: short stacking energy: -300.406
Base-Backbone interact. energy: 0.027
local terms energy: -304.667008
where:
bonds (distance) C4'-P energy: -69.041
bonds (distance) P-C4' energy: -58.208
flat angles C4'-P-C4' energy: -63.323
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -69.691
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1205.092529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.892529 (E_RNA)
where:
Base-Base interactions energy: -667.479
where: short stacking energy: -256.449
Base-Backbone interact. energy: -1.460
local terms energy: -321.953375
where:
bonds (distance) C4'-P energy: -65.178
bonds (distance) P-C4' energy: -63.428
flat angles C4'-P-C4' energy: -74.792
flat angles P-C4'-P energy: -49.656
tors. eta vs tors. theta energy: -68.900
Dist. restrs. and SS energy: -214.200 (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: 293
Temperature: 1.250000
Total energy: -1160.751910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.751910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.751910 (E_RNA)
where:
Base-Base interactions energy: -678.412
where: short stacking energy: -269.250
Base-Backbone interact. energy: 0.821
local terms energy: -285.161213
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -54.164
flat angles C4'-P-C4' energy: -64.518
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -68.093
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1098.475803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.475803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.275803 (E_RNA)
where:
Base-Base interactions energy: -622.368
where: short stacking energy: -234.429
Base-Backbone interact. energy: 0.409
local terms energy: -262.316551
where:
bonds (distance) C4'-P energy: -54.130
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -57.515
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -927.169312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.169312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.969312 (E_RNA)
where:
Base-Base interactions energy: -518.718
where: short stacking energy: -210.819
Base-Backbone interact. energy: 1.424
local terms energy: -249.675502
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -65.115
flat angles C4'-P-C4' energy: -68.006
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1454.069384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.069384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.669384 (E_RNA)
where:
Base-Base interactions energy: -888.617
where: short stacking energy: -354.673
Base-Backbone interact. energy: -4.005
local terms energy: -358.047817
where:
bonds (distance) C4'-P energy: -57.389
bonds (distance) P-C4' energy: -76.917
flat angles C4'-P-C4' energy: -84.707
flat angles P-C4'-P energy: -49.236
tors. eta vs tors. theta energy: -89.799
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1432.073320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.073320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.673320 (E_RNA)
where:
Base-Base interactions energy: -852.191
where: short stacking energy: -340.355
Base-Backbone interact. energy: 1.054
local terms energy: -368.536506
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -69.919
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -54.887
tors. eta vs tors. theta energy: -91.371
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1400.687974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.687974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.487974 (E_RNA)
where:
Base-Base interactions energy: -839.801
where: short stacking energy: -356.423
Base-Backbone interact. energy: 1.312
local terms energy: -356.998735
where:
bonds (distance) C4'-P energy: -66.617
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -78.999
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -97.750
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1328.384353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.384353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.384353 (E_RNA)
where:
Base-Base interactions energy: -802.195
where: short stacking energy: -306.446
Base-Backbone interact. energy: -0.131
local terms energy: -328.058602
where:
bonds (distance) C4'-P energy: -62.836
bonds (distance) P-C4' energy: -63.196
flat angles C4'-P-C4' energy: -73.011
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -79.933
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1207.001198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.001198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.601198 (E_RNA)
where:
Base-Base interactions energy: -694.817
where: short stacking energy: -260.999
Base-Backbone interact. energy: -1.022
local terms energy: -298.761422
where:
bonds (distance) C4'-P energy: -62.120
bonds (distance) P-C4' energy: -72.862
flat angles C4'-P-C4' energy: -64.327
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1269.575262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.575262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.575262 (E_RNA)
where:
Base-Base interactions energy: -745.530
where: short stacking energy: -300.219
Base-Backbone interact. energy: -0.662
local terms energy: -307.382976
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -58.174
flat angles C4'-P-C4' energy: -78.384
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -73.619
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1173.136315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.136315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.936315 (E_RNA)
where:
Base-Base interactions energy: -677.255
where: short stacking energy: -269.943
Base-Backbone interact. energy: -0.207
local terms energy: -299.474165
where:
bonds (distance) C4'-P energy: -51.666
bonds (distance) P-C4' energy: -62.064
flat angles C4'-P-C4' energy: -68.361
flat angles P-C4'-P energy: -44.593
tors. eta vs tors. theta energy: -72.790
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1138.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.092261 (E_RNA)
where:
Base-Base interactions energy: -661.149
where: short stacking energy: -238.315
Base-Backbone interact. energy: 1.053
local terms energy: -258.996340
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -66.616
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -62.261
Dist. restrs. and SS energy: -219.600 (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: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1089.441113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.441113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.841113 (E_RNA)
where:
Base-Base interactions energy: -606.095
where: short stacking energy: -222.421
Base-Backbone interact. energy: 0.047
local terms energy: -272.793918
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -58.006
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -57.504
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -904.889076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.889076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.889076 (E_RNA)
where:
Base-Base interactions energy: -495.250
where: short stacking energy: -206.902
Base-Backbone interact. energy: -0.876
local terms energy: -255.762832
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -68.233
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1464.238600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.238600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.238600 (E_RNA)
where:
Base-Base interactions energy: -862.003
where: short stacking energy: -354.704
Base-Backbone interact. energy: -2.843
local terms energy: -392.392851
where:
bonds (distance) C4'-P energy: -76.612
bonds (distance) P-C4' energy: -81.237
flat angles C4'-P-C4' energy: -72.306
flat angles P-C4'-P energy: -65.015
tors. eta vs tors. theta energy: -97.224
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1442.723829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.723829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.723829 (E_RNA)
where:
Base-Base interactions energy: -857.916
where: short stacking energy: -353.588
Base-Backbone interact. energy: -3.039
local terms energy: -365.768379
where:
bonds (distance) C4'-P energy: -71.001
bonds (distance) P-C4' energy: -62.536
flat angles C4'-P-C4' energy: -87.004
flat angles P-C4'-P energy: -53.451
tors. eta vs tors. theta energy: -91.776
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1401.276751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.276751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.676751 (E_RNA)
where:
Base-Base interactions energy: -855.908
where: short stacking energy: -358.486
Base-Backbone interact. energy: -1.421
local terms energy: -342.347996
where:
bonds (distance) C4'-P energy: -57.358
bonds (distance) P-C4' energy: -68.816
flat angles C4'-P-C4' energy: -77.515
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -101.676
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1326.458699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.458699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.858699 (E_RNA)
where:
Base-Base interactions energy: -777.559
where: short stacking energy: -315.190
Base-Backbone interact. energy: -0.299
local terms energy: -347.000466
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -53.440
tors. eta vs tors. theta energy: -93.579
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1241.175815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.175815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.575815 (E_RNA)
where:
Base-Base interactions energy: -711.585
where: short stacking energy: -291.349
Base-Backbone interact. energy: -0.179
local terms energy: -318.812232
where:
bonds (distance) C4'-P energy: -75.298
bonds (distance) P-C4' energy: -69.524
flat angles C4'-P-C4' energy: -71.620
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1284.115666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.115666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.715666 (E_RNA)
where:
Base-Base interactions energy: -740.477
where: short stacking energy: -288.559
Base-Backbone interact. energy: -1.419
local terms energy: -329.819525
where:
bonds (distance) C4'-P energy: -61.556
bonds (distance) P-C4' energy: -71.957
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -43.670
tors. eta vs tors. theta energy: -80.468
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1195.529363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.529363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.329363 (E_RNA)
where:
Base-Base interactions energy: -697.715
where: short stacking energy: -273.606
Base-Backbone interact. energy: 1.377
local terms energy: -302.991793
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -63.344
flat angles P-C4'-P energy: -42.230
tors. eta vs tors. theta energy: -73.742
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1164.335197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.335197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.735197 (E_RNA)
where:
Base-Base interactions energy: -668.260
where: short stacking energy: -261.495
Base-Backbone interact. energy: 0.281
local terms energy: -285.755765
where:
bonds (distance) C4'-P energy: -62.942
bonds (distance) P-C4' energy: -59.660
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -30.135
tors. eta vs tors. theta energy: -68.905
Dist. restrs. and SS energy: -210.600 (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: 295
Temperature: 1.300000
Total energy: -1143.263072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.263072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.663072 (E_RNA)
where:
Base-Base interactions energy: -675.677
where: short stacking energy: -260.459
Base-Backbone interact. energy: 0.464
local terms energy: -257.450531
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -66.317
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -61.923
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -890.186920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.186920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.786920 (E_RNA)
where:
Base-Base interactions energy: -482.263
where: short stacking energy: -204.976
Base-Backbone interact. energy: 0.263
local terms energy: -249.786071
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -59.499
flat angles C4'-P-C4' energy: -63.205
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -41.556
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1479.038659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.038659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.838659 (E_RNA)
where:
Base-Base interactions energy: -904.308
where: short stacking energy: -367.115
Base-Backbone interact. energy: -2.312
local terms energy: -367.218513
where:
bonds (distance) C4'-P energy: -66.173
bonds (distance) P-C4' energy: -70.299
flat angles C4'-P-C4' energy: -82.661
flat angles P-C4'-P energy: -49.870
tors. eta vs tors. theta energy: -98.215
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1455.269681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.269681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.669681 (E_RNA)
where:
Base-Base interactions energy: -873.748
where: short stacking energy: -330.207
Base-Backbone interact. energy: 1.011
local terms energy: -371.932237
where:
bonds (distance) C4'-P energy: -81.448
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -52.571
tors. eta vs tors. theta energy: -88.485
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1354.740210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.740210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.940210 (E_RNA)
where:
Base-Base interactions energy: -803.188
where: short stacking energy: -324.819
Base-Backbone interact. energy: 0.014
local terms energy: -351.766643
where:
bonds (distance) C4'-P energy: -58.557
bonds (distance) P-C4' energy: -73.151
flat angles C4'-P-C4' energy: -81.269
flat angles P-C4'-P energy: -52.200
tors. eta vs tors. theta energy: -86.591
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1379.016880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.016880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.816880 (E_RNA)
where:
Base-Base interactions energy: -827.958
where: short stacking energy: -350.830
Base-Backbone interact. energy: -1.603
local terms energy: -353.256447
where:
bonds (distance) C4'-P energy: -58.269
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -70.797
flat angles P-C4'-P energy: -52.887
tors. eta vs tors. theta energy: -99.191
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1299.514963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.514963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.914963 (E_RNA)
where:
Base-Base interactions energy: -735.612
where: short stacking energy: -304.841
Base-Backbone interact. energy: -1.226
local terms energy: -343.077049
where:
bonds (distance) C4'-P energy: -65.651
bonds (distance) P-C4' energy: -81.549
flat angles C4'-P-C4' energy: -67.233
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -81.872
Dist. restrs. and SS energy: -219.600 (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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1216.868993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.868993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.268993 (E_RNA)
where:
Base-Base interactions energy: -703.499
where: short stacking energy: -266.450
Base-Backbone interact. energy: -0.760
local terms energy: -302.009623
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -71.815
flat angles C4'-P-C4' energy: -71.633
flat angles P-C4'-P energy: -40.906
tors. eta vs tors. theta energy: -59.207
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1170.586278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.586278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.786278 (E_RNA)
where:
Base-Base interactions energy: -684.475
where: short stacking energy: -273.869
Base-Backbone interact. energy: 0.506
local terms energy: -286.817896
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -57.708
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1158.923644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.923644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.123644 (E_RNA)
where:
Base-Base interactions energy: -682.581
where: short stacking energy: -293.197
Base-Backbone interact. energy: 1.191
local terms energy: -277.733347
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -67.441
flat angles P-C4'-P energy: -39.644
tors. eta vs tors. theta energy: -68.113
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1189.995216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.995216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.395216 (E_RNA)
where:
Base-Base interactions energy: -657.880
where: short stacking energy: -255.747
Base-Backbone interact. energy: 0.597
local terms energy: -322.111793
where:
bonds (distance) C4'-P energy: -70.875
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -71.688
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -873.776000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.776000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.576000 (E_RNA)
where:
Base-Base interactions energy: -471.213
where: short stacking energy: -184.875
Base-Backbone interact. energy: -0.360
local terms energy: -251.002264
where:
bonds (distance) C4'-P energy: -62.438
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -37.642
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1470.357327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.357327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.557327 (E_RNA)
where:
Base-Base interactions energy: -894.066
where: short stacking energy: -359.152
Base-Backbone interact. energy: 3.319
local terms energy: -370.810266
where:
bonds (distance) C4'-P energy: -79.017
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -80.358
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -94.370
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1439.413431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.413431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.613431 (E_RNA)
where:
Base-Base interactions energy: -867.203
where: short stacking energy: -342.853
Base-Backbone interact. energy: 0.466
local terms energy: -354.876667
where:
bonds (distance) C4'-P energy: -67.406
bonds (distance) P-C4' energy: -61.314
flat angles C4'-P-C4' energy: -78.826
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: -92.471
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1388.938520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.938520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.138520 (E_RNA)
where:
Base-Base interactions energy: -810.772
where: short stacking energy: -328.521
Base-Backbone interact. energy: -2.120
local terms energy: -376.245617
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -74.121
flat angles C4'-P-C4' energy: -82.893
flat angles P-C4'-P energy: -55.071
tors. eta vs tors. theta energy: -92.194
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1349.077402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.077402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.677402 (E_RNA)
where:
Base-Base interactions energy: -795.455
where: short stacking energy: -315.601
Base-Backbone interact. energy: -1.868
local terms energy: -357.353976
where:
bonds (distance) C4'-P energy: -67.960
bonds (distance) P-C4' energy: -76.476
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -85.101
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1262.506587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.506587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.306587 (E_RNA)
where:
Base-Base interactions energy: -725.196
where: short stacking energy: -284.757
Base-Backbone interact. energy: -2.662
local terms energy: -320.448294
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -66.709
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -69.901
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1243.928009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.928009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.128009 (E_RNA)
where:
Base-Base interactions energy: -724.538
where: short stacking energy: -294.456
Base-Backbone interact. energy: -2.684
local terms energy: -298.906616
where:
bonds (distance) C4'-P energy: -58.566
bonds (distance) P-C4' energy: -69.787
flat angles C4'-P-C4' energy: -58.944
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -69.200
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1182.335043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.335043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.535043 (E_RNA)
where:
Base-Base interactions energy: -673.527
where: short stacking energy: -275.792
Base-Backbone interact. energy: 4.065
local terms energy: -304.073087
where:
bonds (distance) C4'-P energy: -67.692
bonds (distance) P-C4' energy: -55.942
flat angles C4'-P-C4' energy: -71.935
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -67.817
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1148.108233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.108233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.708233 (E_RNA)
where:
Base-Base interactions energy: -678.635
where: short stacking energy: -266.517
Base-Backbone interact. energy: -1.970
local terms energy: -255.103245
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -61.643
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1132.505371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.505371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.505371 (E_RNA)
where:
Base-Base interactions energy: -648.430
where: short stacking energy: -253.172
Base-Backbone interact. energy: 2.784
local terms energy: -288.858443
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -48.046
tors. eta vs tors. theta energy: -57.566
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -894.691954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.691954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.891954 (E_RNA)
where:
Base-Base interactions energy: -496.793
where: short stacking energy: -212.629
Base-Backbone interact. energy: -2.044
local terms energy: -241.055344
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -52.367
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1469.839909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.839909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.439909 (E_RNA)
where:
Base-Base interactions energy: -884.170
where: short stacking energy: -364.806
Base-Backbone interact. energy: -1.549
local terms energy: -380.720584
where:
bonds (distance) C4'-P energy: -68.931
bonds (distance) P-C4' energy: -77.658
flat angles C4'-P-C4' energy: -77.204
flat angles P-C4'-P energy: -56.532
tors. eta vs tors. theta energy: -100.396
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1439.193773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.193773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.793773 (E_RNA)
where:
Base-Base interactions energy: -882.379
where: short stacking energy: -348.074
Base-Backbone interact. energy: 0.978
local terms energy: -345.392974
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -71.034
flat angles C4'-P-C4' energy: -75.018
flat angles P-C4'-P energy: -55.260
tors. eta vs tors. theta energy: -82.276
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1376.332867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.332867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.532867 (E_RNA)
where:
Base-Base interactions energy: -836.328
where: short stacking energy: -325.251
Base-Backbone interact. energy: 6.636
local terms energy: -346.840498
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -73.490
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -56.650
tors. eta vs tors. theta energy: -77.661
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1371.477571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.477571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.477571 (E_RNA)
where:
Base-Base interactions energy: -819.475
where: short stacking energy: -328.664
Base-Backbone interact. energy: -2.655
local terms energy: -351.348302
where:
bonds (distance) C4'-P energy: -63.158
bonds (distance) P-C4' energy: -63.629
flat angles C4'-P-C4' energy: -83.897
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -92.829
Dist. restrs. and SS energy: -198.000 (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: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1282.480704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.480704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.680704 (E_RNA)
where:
Base-Base interactions energy: -738.239
where: short stacking energy: -294.948
Base-Backbone interact. energy: -1.088
local terms energy: -325.353490
where:
bonds (distance) C4'-P energy: -60.949
bonds (distance) P-C4' energy: -67.071
flat angles C4'-P-C4' energy: -70.466
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -78.587
Dist. restrs. and SS energy: -217.800 (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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1237.727002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.727002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.327002 (E_RNA)
where:
Base-Base interactions energy: -722.453
where: short stacking energy: -284.843
Base-Backbone interact. energy: -1.495
local terms energy: -301.379537
where:
bonds (distance) C4'-P energy: -53.710
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -41.274
tors. eta vs tors. theta energy: -66.464
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1189.896963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.896963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.696963 (E_RNA)
where:
Base-Base interactions energy: -670.570
where: short stacking energy: -270.108
Base-Backbone interact. energy: -1.043
local terms energy: -304.083852
where:
bonds (distance) C4'-P energy: -70.272
bonds (distance) P-C4' energy: -60.914
flat angles C4'-P-C4' energy: -62.273
flat angles P-C4'-P energy: -47.487
tors. eta vs tors. theta energy: -63.138
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1208.456268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.456268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.256268 (E_RNA)
where:
Base-Base interactions energy: -698.765
where: short stacking energy: -276.993
Base-Backbone interact. energy: 1.053
local terms energy: -296.544262
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -69.384
flat angles C4'-P-C4' energy: -74.160
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -66.942
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1113.511192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.511192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.511192 (E_RNA)
where:
Base-Base interactions energy: -638.297
where: short stacking energy: -229.387
Base-Backbone interact. energy: -2.199
local terms energy: -275.014869
where:
bonds (distance) C4'-P energy: -58.134
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -57.083
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -54.752
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -931.461323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.461323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.461323 (E_RNA)
where:
Base-Base interactions energy: -526.865
where: short stacking energy: -192.411
Base-Backbone interact. energy: 2.305
local terms energy: -253.901770
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -62.830
flat angles C4'-P-C4' energy: -63.721
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -38.902
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1479.401548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.401548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.401548 (E_RNA)
where:
Base-Base interactions energy: -892.784
where: short stacking energy: -375.440
Base-Backbone interact. energy: -2.088
local terms energy: -377.529807
where:
bonds (distance) C4'-P energy: -70.040
bonds (distance) P-C4' energy: -77.847
flat angles C4'-P-C4' energy: -74.987
flat angles P-C4'-P energy: -59.283
tors. eta vs tors. theta energy: -95.373
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1460.118073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.118073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.918073 (E_RNA)
where:
Base-Base interactions energy: -873.329
where: short stacking energy: -346.479
Base-Backbone interact. energy: -3.462
local terms energy: -369.126717
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -77.011
flat angles C4'-P-C4' energy: -83.394
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: -90.414
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1364.245773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.245773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.645773 (E_RNA)
where:
Base-Base interactions energy: -814.810
where: short stacking energy: -341.654
Base-Backbone interact. energy: 0.460
local terms energy: -348.296136
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -67.187
flat angles C4'-P-C4' energy: -76.387
flat angles P-C4'-P energy: -54.774
tors. eta vs tors. theta energy: -89.660
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1313.530755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.530755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.130755 (E_RNA)
where:
Base-Base interactions energy: -754.471
where: short stacking energy: -315.498
Base-Backbone interact. energy: -1.408
local terms energy: -345.251745
where:
bonds (distance) C4'-P energy: -68.476
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -78.721
flat angles P-C4'-P energy: -53.227
tors. eta vs tors. theta energy: -77.387
Dist. restrs. and SS energy: -212.400 (S_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: 299
Temperature: 1.100000
Total energy: -1339.525541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.525541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.725541 (E_RNA)
where:
Base-Base interactions energy: -806.826
where: short stacking energy: -331.224
Base-Backbone interact. energy: -4.014
local terms energy: -328.884948
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -77.437
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -85.123
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1204.002647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.002647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.602647 (E_RNA)
where:
Base-Base interactions energy: -676.086
where: short stacking energy: -261.637
Base-Backbone interact. energy: -2.382
local terms energy: -313.134804
where:
bonds (distance) C4'-P energy: -65.030
bonds (distance) P-C4' energy: -62.881
flat angles C4'-P-C4' energy: -70.305
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -66.595
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1196.945372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.945372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.345372 (E_RNA)
where:
Base-Base interactions energy: -691.204
where: short stacking energy: -281.609
Base-Backbone interact. energy: -3.696
local terms energy: -282.446243
where:
bonds (distance) C4'-P energy: -48.681
bonds (distance) P-C4' energy: -65.751
flat angles C4'-P-C4' energy: -57.901
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -69.189
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1158.529190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.529190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.129190 (E_RNA)
where:
Base-Base interactions energy: -688.414
where: short stacking energy: -275.963
Base-Backbone interact. energy: 1.683
local terms energy: -259.397441
where:
bonds (distance) C4'-P energy: -46.022
bonds (distance) P-C4' energy: -57.269
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -58.679
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1102.491425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.491425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.691425 (E_RNA)
where:
Base-Base interactions energy: -639.315
where: short stacking energy: -240.024
Base-Backbone interact. energy: -0.857
local terms energy: -271.518677
where:
bonds (distance) C4'-P energy: -57.992
bonds (distance) P-C4' energy: -60.421
flat angles C4'-P-C4' energy: -59.154
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -56.017
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -879.391113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.391113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.991113 (E_RNA)
where:
Base-Base interactions energy: -469.783
where: short stacking energy: -180.051
Base-Backbone interact. energy: 3.357
local terms energy: -254.565023
where:
bonds (distance) C4'-P energy: -45.444
bonds (distance) P-C4' energy: -67.264
flat angles C4'-P-C4' energy: -57.415
flat angles P-C4'-P energy: -50.520
tors. eta vs tors. theta energy: -33.922
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1487.386401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.386401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.386401 (E_RNA)
where:
Base-Base interactions energy: -890.219
where: short stacking energy: -359.018
Base-Backbone interact. energy: -3.174
local terms energy: -377.994091
where:
bonds (distance) C4'-P energy: -79.911
bonds (distance) P-C4' energy: -73.346
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -95.078
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1451.152491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.152491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.152491 (E_RNA)
where:
Base-Base interactions energy: -871.144
where: short stacking energy: -360.333
Base-Backbone interact. energy: -0.584
local terms energy: -372.424370
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -69.573
flat angles C4'-P-C4' energy: -88.840
flat angles P-C4'-P energy: -59.466
tors. eta vs tors. theta energy: -94.523
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1377.050048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.050048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.050048 (E_RNA)
where:
Base-Base interactions energy: -838.798
where: short stacking energy: -330.860
Base-Backbone interact. energy: -1.975
local terms energy: -338.277098
where:
bonds (distance) C4'-P energy: -62.054
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -76.944
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -94.746
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1321.112656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.112656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.312656 (E_RNA)
where:
Base-Base interactions energy: -771.616
where: short stacking energy: -324.429
Base-Backbone interact. energy: 2.404
local terms energy: -334.101474
where:
bonds (distance) C4'-P energy: -69.114
bonds (distance) P-C4' energy: -71.627
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -71.153
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1318.246848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.246848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.046848 (E_RNA)
where:
Base-Base interactions energy: -764.975
where: short stacking energy: -309.709
Base-Backbone interact. energy: -1.792
local terms energy: -355.279434
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -75.958
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -45.524
tors. eta vs tors. theta energy: -90.488
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1236.682984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.682984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.082984 (E_RNA)
where:
Base-Base interactions energy: -700.008
where: short stacking energy: -276.146
Base-Backbone interact. energy: -2.137
local terms energy: -323.937838
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -68.522
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -49.437
tors. eta vs tors. theta energy: -77.255
Dist. restrs. and SS energy: -210.600 (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: 300
Temperature: 1.200000
Total energy: -1199.294091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.294091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.894091 (E_RNA)
where:
Base-Base interactions energy: -695.544
where: short stacking energy: -270.712
Base-Backbone interact. energy: -0.982
local terms energy: -290.367241
where:
bonds (distance) C4'-P energy: -49.802
bonds (distance) P-C4' energy: -62.251
flat angles C4'-P-C4' energy: -68.088
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1143.854926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.854926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.054926 (E_RNA)
where:
Base-Base interactions energy: -669.910
where: short stacking energy: -272.074
Base-Backbone interact. energy: -1.107
local terms energy: -264.037428
where:
bonds (distance) C4'-P energy: -57.312
bonds (distance) P-C4' energy: -54.032
flat angles C4'-P-C4' energy: -63.404
flat angles P-C4'-P energy: -33.084
tors. eta vs tors. theta energy: -56.206
Dist. restrs. and SS energy: -208.800 (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: 300
Temperature: 1.300000
Total energy: -1152.394154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.394154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.394154 (E_RNA)
where:
Base-Base interactions energy: -667.481
where: short stacking energy: -268.035
Base-Backbone interact. energy: 1.134
local terms energy: -288.047644
where:
bonds (distance) C4'-P energy: -52.099
bonds (distance) P-C4' energy: -59.808
flat angles C4'-P-C4' energy: -66.669
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -67.142
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -887.275024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.275024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.875024 (E_RNA)
where:
Base-Base interactions energy: -495.185
where: short stacking energy: -188.463
Base-Backbone interact. energy: 1.050
local terms energy: -234.740246
where:
bonds (distance) C4'-P energy: -49.816
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -50.372
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -30.969
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1504.491318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.491318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.291318 (E_RNA)
where:
Base-Base interactions energy: -898.812
where: short stacking energy: -349.034
Base-Backbone interact. energy: -2.323
local terms energy: -389.157003
where:
bonds (distance) C4'-P energy: -75.210
bonds (distance) P-C4' energy: -76.665
flat angles C4'-P-C4' energy: -84.058
flat angles P-C4'-P energy: -59.753
tors. eta vs tors. theta energy: -93.470
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1457.962744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.962744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.962744 (E_RNA)
where:
Base-Base interactions energy: -880.247
where: short stacking energy: -363.983
Base-Backbone interact. energy: -1.315
local terms energy: -369.400522
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -70.784
flat angles C4'-P-C4' energy: -86.126
flat angles P-C4'-P energy: -61.301
tors. eta vs tors. theta energy: -94.015
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1378.548777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.748777 (E_RNA)
where:
Base-Base interactions energy: -843.412
where: short stacking energy: -344.776
Base-Backbone interact. energy: -1.545
local terms energy: -333.791770
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -78.210
flat angles P-C4'-P energy: -48.792
tors. eta vs tors. theta energy: -83.416
Dist. restrs. and SS energy: -199.800 (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: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1297.957650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.957650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.157650 (E_RNA)
where:
Base-Base interactions energy: -747.175
where: short stacking energy: -299.575
Base-Backbone interact. energy: -1.262
local terms energy: -331.720120
where:
bonds (distance) C4'-P energy: -73.955
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -68.871
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -70.474
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1300.839365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.839365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.439365 (E_RNA)
where:
Base-Base interactions energy: -766.742
where: short stacking energy: -319.934
Base-Backbone interact. energy: 0.489
local terms energy: -331.185535
where:
bonds (distance) C4'-P energy: -51.998
bonds (distance) P-C4' energy: -67.857
flat angles C4'-P-C4' energy: -74.815
flat angles P-C4'-P energy: -53.237
tors. eta vs tors. theta energy: -83.278
Dist. restrs. and SS energy: -203.400 (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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1211.609553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.609553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.209553 (E_RNA)
where:
Base-Base interactions energy: -696.102
where: short stacking energy: -269.887
Base-Backbone interact. energy: 1.993
local terms energy: -305.100648
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -69.541
flat angles C4'-P-C4' energy: -57.723
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -69.687
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1196.391055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.391055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.991055 (E_RNA)
where:
Base-Base interactions energy: -685.657
where: short stacking energy: -269.293
Base-Backbone interact. energy: -2.420
local terms energy: -295.914038
where:
bonds (distance) C4'-P energy: -64.229
bonds (distance) P-C4' energy: -58.127
flat angles C4'-P-C4' energy: -65.763
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -69.325
Dist. restrs. and SS energy: -212.400 (S_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: 301
Temperature: 1.250000
Total energy: -1180.588164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.588164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.788164 (E_RNA)
where:
Base-Base interactions energy: -697.688
where: short stacking energy: -275.275
Base-Backbone interact. energy: -1.406
local terms energy: -281.694048
where:
bonds (distance) C4'-P energy: -57.294
bonds (distance) P-C4' energy: -53.239
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -68.583
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1126.268199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.268199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.068199 (E_RNA)
where:
Base-Base interactions energy: -649.191
where: short stacking energy: -244.293
Base-Backbone interact. energy: -0.895
local terms energy: -270.982744
where:
bonds (distance) C4'-P energy: -62.285
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -59.518
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -841.812603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.812603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.812603 (E_RNA)
where:
Base-Base interactions energy: -488.720
where: short stacking energy: -199.305
Base-Backbone interact. energy: -0.358
local terms energy: -217.735115
where:
bonds (distance) C4'-P energy: -54.128
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -27.217
tors. eta vs tors. theta energy: -39.940
Dist. restrs. and SS energy: -135.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1496.397872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.397872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.597872 (E_RNA)
where:
Base-Base interactions energy: -899.834
where: short stacking energy: -352.231
Base-Backbone interact. energy: -2.185
local terms energy: -376.579551
where:
bonds (distance) C4'-P energy: -63.082
bonds (distance) P-C4' energy: -78.692
flat angles C4'-P-C4' energy: -82.432
flat angles P-C4'-P energy: -59.243
tors. eta vs tors. theta energy: -93.130
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1419.066542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.066542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.266542 (E_RNA)
where:
Base-Base interactions energy: -860.647
where: short stacking energy: -352.656
Base-Backbone interact. energy: -2.221
local terms energy: -347.398499
where:
bonds (distance) C4'-P energy: -70.998
bonds (distance) P-C4' energy: -57.522
flat angles C4'-P-C4' energy: -85.373
flat angles P-C4'-P energy: -44.432
tors. eta vs tors. theta energy: -89.073
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1374.261412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.261412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.861412 (E_RNA)
where:
Base-Base interactions energy: -824.600
where: short stacking energy: -320.702
Base-Backbone interact. energy: 3.622
local terms energy: -349.883332
where:
bonds (distance) C4'-P energy: -71.542
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -80.146
flat angles P-C4'-P energy: -51.415
tors. eta vs tors. theta energy: -86.074
Dist. restrs. and SS energy: -203.400 (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: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1305.381496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.381496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.981496 (E_RNA)
where:
Base-Base interactions energy: -763.639
where: short stacking energy: -309.685
Base-Backbone interact. energy: -0.099
local terms energy: -329.244166
where:
bonds (distance) C4'-P energy: -69.890
bonds (distance) P-C4' energy: -63.569
flat angles C4'-P-C4' energy: -74.297
flat angles P-C4'-P energy: -48.351
tors. eta vs tors. theta energy: -73.136
Dist. restrs. and SS energy: -212.400 (S_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: 302
Temperature: 1.100000
Total energy: -1346.381638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.381638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.581638 (E_RNA)
where:
Base-Base interactions energy: -794.010
where: short stacking energy: -333.358
Base-Backbone interact. energy: 3.922
local terms energy: -356.493722
where:
bonds (distance) C4'-P energy: -73.489
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -81.780
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -86.589
Dist. restrs. and SS energy: -199.800 (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: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1243.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.723522 (E_RNA)
where:
Base-Base interactions energy: -715.535
where: short stacking energy: -263.176
Base-Backbone interact. energy: -3.906
local terms energy: -319.282867
where:
bonds (distance) C4'-P energy: -72.410
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -66.657
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1214.080201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.080201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.280201 (E_RNA)
where:
Base-Base interactions energy: -717.262
where: short stacking energy: -265.606
Base-Backbone interact. energy: 1.518
local terms energy: -298.535900
where:
bonds (distance) C4'-P energy: -60.667
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -68.814
flat angles P-C4'-P energy: -39.470
tors. eta vs tors. theta energy: -64.825
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1191.122522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.122522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.722522 (E_RNA)
where:
Base-Base interactions energy: -670.203
where: short stacking energy: -257.290
Base-Backbone interact. energy: 0.105
local terms energy: -308.624565
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -46.118
tors. eta vs tors. theta energy: -58.849
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1127.591995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.591995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.591995 (E_RNA)
where:
Base-Base interactions energy: -653.340
where: short stacking energy: -257.676
Base-Backbone interact. energy: -2.398
local terms energy: -264.853356
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -42.322
tors. eta vs tors. theta energy: -66.339
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -859.743485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.743485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.943485 (E_RNA)
where:
Base-Base interactions energy: -478.810
where: short stacking energy: -195.478
Base-Backbone interact. energy: 1.815
local terms energy: -245.947699
where:
bonds (distance) C4'-P energy: -68.126
bonds (distance) P-C4' energy: -61.793
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: -136.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1487.196285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.196285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.596285 (E_RNA)
where:
Base-Base interactions energy: -907.332
where: short stacking energy: -350.924
Base-Backbone interact. energy: -3.225
local terms energy: -366.039808
where:
bonds (distance) C4'-P energy: -61.918
bonds (distance) P-C4' energy: -74.783
flat angles C4'-P-C4' energy: -84.431
flat angles P-C4'-P energy: -55.114
tors. eta vs tors. theta energy: -89.793
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1434.197494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.197494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.997494 (E_RNA)
where:
Base-Base interactions energy: -851.363
where: short stacking energy: -355.353
Base-Backbone interact. energy: -0.260
local terms energy: -377.374438
where:
bonds (distance) C4'-P energy: -69.363
bonds (distance) P-C4' energy: -63.623
flat angles C4'-P-C4' energy: -85.803
flat angles P-C4'-P energy: -59.336
tors. eta vs tors. theta energy: -99.250
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1400.260656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.260656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.260656 (E_RNA)
where:
Base-Base interactions energy: -850.133
where: short stacking energy: -356.891
Base-Backbone interact. energy: -0.671
local terms energy: -351.456753
where:
bonds (distance) C4'-P energy: -58.080
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -82.459
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -92.002
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1338.732863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.732863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.132863 (E_RNA)
where:
Base-Base interactions energy: -791.777
where: short stacking energy: -308.058
Base-Backbone interact. energy: -1.064
local terms energy: -344.292382
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -72.991
flat angles P-C4'-P energy: -54.572
tors. eta vs tors. theta energy: -83.470
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1282.031731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.031731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.631731 (E_RNA)
where:
Base-Base interactions energy: -745.140
where: short stacking energy: -298.132
Base-Backbone interact. energy: -2.394
local terms energy: -322.096928
where:
bonds (distance) C4'-P energy: -68.136
bonds (distance) P-C4' energy: -60.712
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -76.363
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1196.816649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.816649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.016649 (E_RNA)
where:
Base-Base interactions energy: -682.800
where: short stacking energy: -280.040
Base-Backbone interact. energy: 0.535
local terms energy: -305.751912
where:
bonds (distance) C4'-P energy: -47.516
bonds (distance) P-C4' energy: -58.603
flat angles C4'-P-C4' energy: -77.806
flat angles P-C4'-P energy: -50.320
tors. eta vs tors. theta energy: -71.507
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1188.360104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.360104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.360104 (E_RNA)
where:
Base-Base interactions energy: -710.049
where: short stacking energy: -289.396
Base-Backbone interact. energy: -0.619
local terms energy: -279.692545
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -63.091
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -71.421
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1140.639608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.639608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.639608 (E_RNA)
where:
Base-Base interactions energy: -635.401
where: short stacking energy: -255.025
Base-Backbone interact. energy: 0.404
local terms energy: -298.642152
where:
bonds (distance) C4'-P energy: -76.935
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -48.783
tors. eta vs tors. theta energy: -58.794
Dist. restrs. and SS energy: -207.000 (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: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1156.766581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.766581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.566581 (E_RNA)
where:
Base-Base interactions energy: -670.132
where: short stacking energy: -240.279
Base-Backbone interact. energy: 1.109
local terms energy: -273.543663
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -70.030
flat angles P-C4'-P energy: -33.701
tors. eta vs tors. theta energy: -64.786
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -850.019507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.019507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.819507 (E_RNA)
where:
Base-Base interactions energy: -460.956
where: short stacking energy: -186.074
Base-Backbone interact. energy: -0.603
local terms energy: -246.259740
where:
bonds (distance) C4'-P energy: -60.516
bonds (distance) P-C4' energy: -54.531
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -33.112
Dist. restrs. and SS energy: -142.200 (S_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: 304
Temperature: 0.900000
Total energy: -1473.178058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.178058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.978058 (E_RNA)
where:
Base-Base interactions energy: -886.222
where: short stacking energy: -342.443
Base-Backbone interact. energy: -1.157
local terms energy: -371.599411
where:
bonds (distance) C4'-P energy: -71.362
bonds (distance) P-C4' energy: -69.192
flat angles C4'-P-C4' energy: -85.467
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -88.599
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1446.717657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.717657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.717657 (E_RNA)
where:
Base-Base interactions energy: -868.427
where: short stacking energy: -348.792
Base-Backbone interact. energy: 3.310
local terms energy: -374.600181
where:
bonds (distance) C4'-P energy: -64.941
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -82.224
flat angles P-C4'-P energy: -59.737
tors. eta vs tors. theta energy: -101.742
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1382.375554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.375554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.775554 (E_RNA)
where:
Base-Base interactions energy: -846.057
where: short stacking energy: -349.395
Base-Backbone interact. energy: 0.282
local terms energy: -335.000926
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -73.598
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -80.164
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1344.188448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.188448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.988448 (E_RNA)
where:
Base-Base interactions energy: -817.198
where: short stacking energy: -314.401
Base-Backbone interact. energy: 0.952
local terms energy: -331.743052
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -66.801
flat angles C4'-P-C4' energy: -70.112
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: -84.617
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1259.537102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.537102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.537102 (E_RNA)
where:
Base-Base interactions energy: -740.704
where: short stacking energy: -300.958
Base-Backbone interact. energy: 0.235
local terms energy: -312.067567
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -61.776
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -50.802
tors. eta vs tors. theta energy: -70.437
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1239.073216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.073216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.273216 (E_RNA)
where:
Base-Base interactions energy: -723.425
where: short stacking energy: -286.917
Base-Backbone interact. energy: -0.018
local terms energy: -306.830001
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -67.018
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -76.550
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1180.839446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.839446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.239446 (E_RNA)
where:
Base-Base interactions energy: -685.682
where: short stacking energy: -275.647
Base-Backbone interact. energy: 0.096
local terms energy: -302.653372
where:
bonds (distance) C4'-P energy: -69.339
bonds (distance) P-C4' energy: -52.215
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -71.266
Dist. restrs. and SS energy: -192.600 (S_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: 304
Temperature: 1.250000
Total energy: -1154.150868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.150868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.550868 (E_RNA)
where:
Base-Base interactions energy: -645.785
where: short stacking energy: -231.651
Base-Backbone interact. energy: -4.770
local terms energy: -301.995911
where:
bonds (distance) C4'-P energy: -62.197
bonds (distance) P-C4' energy: -66.277
flat angles C4'-P-C4' energy: -69.777
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -54.796
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1130.743686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.743686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.143686 (E_RNA)
where:
Base-Base interactions energy: -639.452
where: short stacking energy: -245.314
Base-Backbone interact. energy: -0.731
local terms energy: -279.960197
where:
bonds (distance) C4'-P energy: -58.934
bonds (distance) P-C4' energy: -61.625
flat angles C4'-P-C4' energy: -75.436
flat angles P-C4'-P energy: -33.685
tors. eta vs tors. theta energy: -50.280
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -838.739279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.739279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.339279 (E_RNA)
where:
Base-Base interactions energy: -447.127
where: short stacking energy: -177.934
Base-Backbone interact. energy: -1.910
local terms energy: -249.301892
where:
bonds (distance) C4'-P energy: -62.881
bonds (distance) P-C4' energy: -57.294
flat angles C4'-P-C4' energy: -64.927
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -33.328
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1445.921531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.921531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.521531 (E_RNA)
where:
Base-Base interactions energy: -866.226
where: short stacking energy: -346.721
Base-Backbone interact. energy: -2.098
local terms energy: -365.197125
where:
bonds (distance) C4'-P energy: -62.154
bonds (distance) P-C4' energy: -76.799
flat angles C4'-P-C4' energy: -84.971
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: -91.958
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1448.548365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.548365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.748365 (E_RNA)
where:
Base-Base interactions energy: -860.862
where: short stacking energy: -356.482
Base-Backbone interact. energy: -0.982
local terms energy: -377.904786
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -76.303
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -96.658
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1382.142782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.542782 (E_RNA)
where:
Base-Base interactions energy: -822.122
where: short stacking energy: -337.393
Base-Backbone interact. energy: -2.515
local terms energy: -355.905982
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -74.979
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -56.007
tors. eta vs tors. theta energy: -93.060
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1349.772346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.772346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.372346 (E_RNA)
where:
Base-Base interactions energy: -803.784
where: short stacking energy: -343.901
Base-Backbone interact. energy: -2.752
local terms energy: -339.836327
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -67.862
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -99.544
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1281.419166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.419166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.819166 (E_RNA)
where:
Base-Base interactions energy: -750.682
where: short stacking energy: -312.925
Base-Backbone interact. energy: 0.087
local terms energy: -320.224877
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -66.686
flat angles P-C4'-P energy: -46.423
tors. eta vs tors. theta energy: -81.324
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1187.170332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.170332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.170332 (E_RNA)
where:
Base-Base interactions energy: -674.425
where: short stacking energy: -255.741
Base-Backbone interact. energy: -2.567
local terms energy: -312.178087
where:
bonds (distance) C4'-P energy: -56.077
bonds (distance) P-C4' energy: -72.956
flat angles C4'-P-C4' energy: -78.440
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -60.207
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1212.020886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.020886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.620886 (E_RNA)
where:
Base-Base interactions energy: -684.361
where: short stacking energy: -262.087
Base-Backbone interact. energy: -2.273
local terms energy: -312.987295
where:
bonds (distance) C4'-P energy: -69.684
bonds (distance) P-C4' energy: -69.423
flat angles C4'-P-C4' energy: -65.250
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -67.338
Dist. restrs. and SS energy: -212.400 (S_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: 305
Temperature: 1.250000
Total energy: -1150.752378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.752378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.752378 (E_RNA)
where:
Base-Base interactions energy: -643.089
where: short stacking energy: -247.275
Base-Backbone interact. energy: -0.656
local terms energy: -309.007079
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -68.164
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -67.635
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1155.491490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.491490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.091490 (E_RNA)
where:
Base-Base interactions energy: -659.915
where: short stacking energy: -240.212
Base-Backbone interact. energy: 0.708
local terms energy: -283.884088
where:
bonds (distance) C4'-P energy: -61.974
bonds (distance) P-C4' energy: -54.842
flat angles C4'-P-C4' energy: -65.817
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -55.689
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -822.919568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.919568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.519568 (E_RNA)
where:
Base-Base interactions energy: -455.880
where: short stacking energy: -166.220
Base-Backbone interact. energy: -3.461
local terms energy: -223.178658
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -41.606
flat angles P-C4'-P energy: -34.708
tors. eta vs tors. theta energy: -28.194
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1447.243184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.243184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.243184 (E_RNA)
where:
Base-Base interactions energy: -857.467
where: short stacking energy: -351.799
Base-Backbone interact. energy: -2.583
local terms energy: -380.192839
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -83.872
flat angles C4'-P-C4' energy: -82.054
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -96.602
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1395.136083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.136083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.136083 (E_RNA)
where:
Base-Base interactions energy: -819.184
where: short stacking energy: -317.960
Base-Backbone interact. energy: -3.952
local terms energy: -356.000249
where:
bonds (distance) C4'-P energy: -76.551
bonds (distance) P-C4' energy: -67.691
flat angles C4'-P-C4' energy: -75.233
flat angles P-C4'-P energy: -58.763
tors. eta vs tors. theta energy: -77.763
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1379.853726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.853726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.053726 (E_RNA)
where:
Base-Base interactions energy: -829.101
where: short stacking energy: -333.458
Base-Backbone interact. energy: -2.324
local terms energy: -348.628952
where:
bonds (distance) C4'-P energy: -67.247
bonds (distance) P-C4' energy: -67.941
flat angles C4'-P-C4' energy: -71.181
flat angles P-C4'-P energy: -53.547
tors. eta vs tors. theta energy: -88.713
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1331.982497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.982497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.382497 (E_RNA)
where:
Base-Base interactions energy: -781.553
where: short stacking energy: -328.767
Base-Backbone interact. energy: -0.739
local terms energy: -348.090399
where:
bonds (distance) C4'-P energy: -67.481
bonds (distance) P-C4' energy: -66.133
flat angles C4'-P-C4' energy: -76.285
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: -84.504
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1275.114451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.114451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.314451 (E_RNA)
where:
Base-Base interactions energy: -737.881
where: short stacking energy: -304.159
Base-Backbone interact. energy: -1.039
local terms energy: -318.393857
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -66.758
flat angles C4'-P-C4' energy: -68.249
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -82.369
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1209.188668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.188668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.988668 (E_RNA)
where:
Base-Base interactions energy: -712.210
where: short stacking energy: -279.917
Base-Backbone interact. energy: 0.788
local terms energy: -301.566235
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -57.111
flat angles C4'-P-C4' energy: -77.035
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: -70.795
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1192.108383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.108383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.908383 (E_RNA)
where:
Base-Base interactions energy: -689.825
where: short stacking energy: -263.164
Base-Backbone interact. energy: -1.975
local terms energy: -304.108138
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -69.108
flat angles P-C4'-P energy: -49.662
tors. eta vs tors. theta energy: -67.867
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1148.774711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.774711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.974711 (E_RNA)
where:
Base-Base interactions energy: -674.316
where: short stacking energy: -268.349
Base-Backbone interact. energy: -0.521
local terms energy: -274.138401
where:
bonds (distance) C4'-P energy: -64.664
bonds (distance) P-C4' energy: -48.194
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -75.766
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1199.856302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.856302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.056302 (E_RNA)
where:
Base-Base interactions energy: -697.739
where: short stacking energy: -277.434
Base-Backbone interact. energy: 0.542
local terms energy: -293.859347
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -62.145
flat angles C4'-P-C4' energy: -61.568
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -68.790
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -851.918661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.918661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.518661 (E_RNA)
where:
Base-Base interactions energy: -485.508
where: short stacking energy: -208.451
Base-Backbone interact. energy: 1.160
local terms energy: -227.170320
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -33.654
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1456.788169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.788169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.588169 (E_RNA)
where:
Base-Base interactions energy: -874.159
where: short stacking energy: -359.825
Base-Backbone interact. energy: -2.904
local terms energy: -374.525183
where:
bonds (distance) C4'-P energy: -74.873
bonds (distance) P-C4' energy: -72.672
flat angles C4'-P-C4' energy: -76.574
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: -99.543
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1426.152398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.152398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.952398 (E_RNA)
where:
Base-Base interactions energy: -839.792
where: short stacking energy: -351.705
Base-Backbone interact. energy: -2.863
local terms energy: -378.297862
where:
bonds (distance) C4'-P energy: -74.289
bonds (distance) P-C4' energy: -74.250
flat angles C4'-P-C4' energy: -83.222
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -98.254
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1390.516653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.516653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.316653 (E_RNA)
where:
Base-Base interactions energy: -831.713
where: short stacking energy: -327.639
Base-Backbone interact. energy: -2.250
local terms energy: -342.354242
where:
bonds (distance) C4'-P energy: -61.362
bonds (distance) P-C4' energy: -63.893
flat angles C4'-P-C4' energy: -72.766
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -91.664
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1332.791537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.791537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.191537 (E_RNA)
where:
Base-Base interactions energy: -797.963
where: short stacking energy: -304.909
Base-Backbone interact. energy: -1.251
local terms energy: -331.977738
where:
bonds (distance) C4'-P energy: -70.487
bonds (distance) P-C4' energy: -61.931
flat angles C4'-P-C4' energy: -74.372
flat angles P-C4'-P energy: -50.288
tors. eta vs tors. theta energy: -74.900
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1257.928562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.928562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.928562 (E_RNA)
where:
Base-Base interactions energy: -715.844
where: short stacking energy: -299.302
Base-Backbone interact. energy: -1.985
local terms energy: -324.098842
where:
bonds (distance) C4'-P energy: -61.632
bonds (distance) P-C4' energy: -72.317
flat angles C4'-P-C4' energy: -67.494
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1190.111342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.111342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.111342 (E_RNA)
where:
Base-Base interactions energy: -691.041
where: short stacking energy: -281.183
Base-Backbone interact. energy: -0.734
local terms energy: -300.336043
where:
bonds (distance) C4'-P energy: -60.405
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -65.575
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -62.060
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1179.563401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.563401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.163401 (E_RNA)
where:
Base-Base interactions energy: -663.959
where: short stacking energy: -266.149
Base-Backbone interact. energy: -3.485
local terms energy: -317.719134
where:
bonds (distance) C4'-P energy: -74.841
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -69.033
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -67.890
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1164.238541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.238541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.638541 (E_RNA)
where:
Base-Base interactions energy: -684.516
where: short stacking energy: -280.323
Base-Backbone interact. energy: 4.094
local terms energy: -273.217111
where:
bonds (distance) C4'-P energy: -53.738
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -44.854
tors. eta vs tors. theta energy: -54.205
Dist. restrs. and SS energy: -210.600 (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: 307
Temperature: 1.300000
Total energy: -1126.641503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.641503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.441503 (E_RNA)
where:
Base-Base interactions energy: -667.158
where: short stacking energy: -256.407
Base-Backbone interact. energy: -1.467
local terms energy: -261.816098
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -56.975
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -870.986579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.986579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.586579 (E_RNA)
where:
Base-Base interactions energy: -457.161
where: short stacking energy: -188.247
Base-Backbone interact. energy: -2.325
local terms energy: -271.101110
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -66.249
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -30.909
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1503.925446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.925446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.125446 (E_RNA)
where:
Base-Base interactions energy: -908.395
where: short stacking energy: -379.369
Base-Backbone interact. energy: -0.751
local terms energy: -385.979832
where:
bonds (distance) C4'-P energy: -62.234
bonds (distance) P-C4' energy: -82.740
flat angles C4'-P-C4' energy: -81.627
flat angles P-C4'-P energy: -59.180
tors. eta vs tors. theta energy: -100.199
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1422.558536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.558536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.158536 (E_RNA)
where:
Base-Base interactions energy: -833.881
where: short stacking energy: -338.536
Base-Backbone interact. energy: -3.260
local terms energy: -382.017951
where:
bonds (distance) C4'-P energy: -70.246
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -79.775
flat angles P-C4'-P energy: -55.939
tors. eta vs tors. theta energy: -93.390
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1390.462326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.462326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.262326 (E_RNA)
where:
Base-Base interactions energy: -833.622
where: short stacking energy: -334.630
Base-Backbone interact. energy: -1.729
local terms energy: -349.911744
where:
bonds (distance) C4'-P energy: -70.506
bonds (distance) P-C4' energy: -69.410
flat angles C4'-P-C4' energy: -70.802
flat angles P-C4'-P energy: -60.315
tors. eta vs tors. theta energy: -78.878
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1344.180014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.180014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.180014 (E_RNA)
where:
Base-Base interactions energy: -785.042
where: short stacking energy: -311.993
Base-Backbone interact. energy: -3.263
local terms energy: -339.875030
where:
bonds (distance) C4'-P energy: -70.216
bonds (distance) P-C4' energy: -74.380
flat angles C4'-P-C4' energy: -77.617
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -69.782
Dist. restrs. and SS energy: -216.000 (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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1260.375596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.375596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.175596 (E_RNA)
where:
Base-Base interactions energy: -728.150
where: short stacking energy: -302.012
Base-Backbone interact. energy: -1.316
local terms energy: -316.709575
where:
bonds (distance) C4'-P energy: -59.337
bonds (distance) P-C4' energy: -66.322
flat angles C4'-P-C4' energy: -67.344
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -79.602
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1220.209090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.209090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.209090 (E_RNA)
where:
Base-Base interactions energy: -713.044
where: short stacking energy: -278.129
Base-Backbone interact. energy: -1.171
local terms energy: -307.994371
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -45.230
tors. eta vs tors. theta energy: -74.743
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1204.095514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.095514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.695515 (E_RNA)
where:
Base-Base interactions energy: -697.678
where: short stacking energy: -272.569
Base-Backbone interact. energy: 2.045
local terms energy: -296.062617
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -67.091
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -51.300
tors. eta vs tors. theta energy: -54.315
Dist. restrs. and SS energy: -212.400 (S_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: 308
Temperature: 1.250000
Total energy: -1154.141816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.141816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.141816 (E_RNA)
where:
Base-Base interactions energy: -675.112
where: short stacking energy: -261.434
Base-Backbone interact. energy: -1.622
local terms energy: -279.407290
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -55.262
flat angles C4'-P-C4' energy: -64.484
flat angles P-C4'-P energy: -26.877
tors. eta vs tors. theta energy: -67.372
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1080.584939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.584939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.984939 (E_RNA)
where:
Base-Base interactions energy: -629.112
where: short stacking energy: -253.538
Base-Backbone interact. energy: -0.513
local terms energy: -258.359931
where:
bonds (distance) C4'-P energy: -66.321
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -57.126
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -866.800624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.800624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.800624 (E_RNA)
where:
Base-Base interactions energy: -476.284
where: short stacking energy: -184.233
Base-Backbone interact. energy: -1.473
local terms energy: -245.043472
where:
bonds (distance) C4'-P energy: -65.073
bonds (distance) P-C4' energy: -63.374
flat angles C4'-P-C4' energy: -47.028
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1470.477069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.477069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.677069 (E_RNA)
where:
Base-Base interactions energy: -895.211
where: short stacking energy: -355.439
Base-Backbone interact. energy: -0.859
local terms energy: -365.607618
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -66.103
flat angles C4'-P-C4' energy: -80.655
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -99.426
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1440.554174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.554174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.154174 (E_RNA)
where:
Base-Base interactions energy: -850.448
where: short stacking energy: -365.534
Base-Backbone interact. energy: -3.124
local terms energy: -383.582747
where:
bonds (distance) C4'-P energy: -79.092
bonds (distance) P-C4' energy: -65.796
flat angles C4'-P-C4' energy: -78.988
flat angles P-C4'-P energy: -60.419
tors. eta vs tors. theta energy: -99.288
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1363.086419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.086419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.686419 (E_RNA)
where:
Base-Base interactions energy: -814.927
where: short stacking energy: -324.669
Base-Backbone interact. energy: 0.065
local terms energy: -344.823801
where:
bonds (distance) C4'-P energy: -63.765
bonds (distance) P-C4' energy: -71.177
flat angles C4'-P-C4' energy: -74.570
flat angles P-C4'-P energy: -51.804
tors. eta vs tors. theta energy: -83.508
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1377.812447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.812447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.612447 (E_RNA)
where:
Base-Base interactions energy: -807.347
where: short stacking energy: -318.224
Base-Backbone interact. energy: -1.228
local terms energy: -355.037346
where:
bonds (distance) C4'-P energy: -64.455
bonds (distance) P-C4' energy: -76.304
flat angles C4'-P-C4' energy: -76.731
flat angles P-C4'-P energy: -55.113
tors. eta vs tors. theta energy: -82.435
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1281.934459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.934459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.934459 (E_RNA)
where:
Base-Base interactions energy: -732.505
where: short stacking energy: -323.805
Base-Backbone interact. energy: 1.847
local terms energy: -335.275759
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -67.536
flat angles C4'-P-C4' energy: -65.935
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -84.697
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1238.381156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.381156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.381156 (E_RNA)
where:
Base-Base interactions energy: -726.006
where: short stacking energy: -287.921
Base-Backbone interact. energy: 0.646
local terms energy: -306.020977
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -73.463
flat angles C4'-P-C4' energy: -69.125
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -61.208
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1179.006390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.006390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.806390 (E_RNA)
where:
Base-Base interactions energy: -711.843
where: short stacking energy: -282.964
Base-Backbone interact. energy: -4.874
local terms energy: -266.089560
where:
bonds (distance) C4'-P energy: -43.376
bonds (distance) P-C4' energy: -59.558
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -33.008
tors. eta vs tors. theta energy: -57.066
Dist. restrs. and SS energy: -196.200 (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: 309
Temperature: 1.250000
Total energy: -1155.408444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.408444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.208444 (E_RNA)
where:
Base-Base interactions energy: -674.942
where: short stacking energy: -262.295
Base-Backbone interact. energy: -1.004
local terms energy: -283.262242
where:
bonds (distance) C4'-P energy: -58.013
bonds (distance) P-C4' energy: -55.085
flat angles C4'-P-C4' energy: -67.375
flat angles P-C4'-P energy: -37.265
tors. eta vs tors. theta energy: -65.524
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1067.835547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.835547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.635547 (E_RNA)
where:
Base-Base interactions energy: -608.767
where: short stacking energy: -230.049
Base-Backbone interact. energy: 0.939
local terms energy: -281.808340
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -67.905
flat angles C4'-P-C4' energy: -66.118
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -52.426
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -870.480645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.480645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.280645 (E_RNA)
where:
Base-Base interactions energy: -482.954
where: short stacking energy: -195.778
Base-Backbone interact. energy: 2.856
local terms energy: -248.182135
where:
bonds (distance) C4'-P energy: -58.959
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -31.618
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1497.022472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.022472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.222472 (E_RNA)
where:
Base-Base interactions energy: -903.200
where: short stacking energy: -368.688
Base-Backbone interact. energy: -2.602
local terms energy: -382.420699
where:
bonds (distance) C4'-P energy: -70.590
bonds (distance) P-C4' energy: -74.902
flat angles C4'-P-C4' energy: -81.896
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -101.747
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1419.418718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.418718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.218718 (E_RNA)
where:
Base-Base interactions energy: -839.517
where: short stacking energy: -364.513
Base-Backbone interact. energy: -2.669
local terms energy: -381.032407
where:
bonds (distance) C4'-P energy: -65.327
bonds (distance) P-C4' energy: -73.420
flat angles C4'-P-C4' energy: -81.043
flat angles P-C4'-P energy: -65.547
tors. eta vs tors. theta energy: -95.695
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1369.213152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.213152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.413152 (E_RNA)
where:
Base-Base interactions energy: -828.538
where: short stacking energy: -325.925
Base-Backbone interact. energy: -0.708
local terms energy: -331.167559
where:
bonds (distance) C4'-P energy: -67.500
bonds (distance) P-C4' energy: -73.249
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -82.592
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1340.332784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.332784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.932784 (E_RNA)
where:
Base-Base interactions energy: -795.272
where: short stacking energy: -310.813
Base-Backbone interact. energy: 1.086
local terms energy: -342.746268
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -79.945
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -84.929
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1294.711469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.711469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.711469 (E_RNA)
where:
Base-Base interactions energy: -737.597
where: short stacking energy: -304.014
Base-Backbone interact. energy: -2.995
local terms energy: -338.119815
where:
bonds (distance) C4'-P energy: -70.981
bonds (distance) P-C4' energy: -68.995
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -85.262
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1240.370452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.370452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.570452 (E_RNA)
where:
Base-Base interactions energy: -725.858
where: short stacking energy: -273.976
Base-Backbone interact. energy: 1.868
local terms energy: -307.579990
where:
bonds (distance) C4'-P energy: -62.642
bonds (distance) P-C4' energy: -69.259
flat angles C4'-P-C4' energy: -68.526
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -62.954
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1181.582607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.582607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.782607 (E_RNA)
where:
Base-Base interactions energy: -688.365
where: short stacking energy: -274.804
Base-Backbone interact. energy: -1.893
local terms energy: -291.524503
where:
bonds (distance) C4'-P energy: -57.800
bonds (distance) P-C4' energy: -62.280
flat angles C4'-P-C4' energy: -73.380
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -57.651
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1226.688134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.688134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.688134 (E_RNA)
where:
Base-Base interactions energy: -725.533
where: short stacking energy: -290.483
Base-Backbone interact. energy: 0.087
local terms energy: -303.242879
where:
bonds (distance) C4'-P energy: -52.480
bonds (distance) P-C4' energy: -47.291
flat angles C4'-P-C4' energy: -65.599
flat angles P-C4'-P energy: -55.088
tors. eta vs tors. theta energy: -82.784
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1044.220640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.220640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.820640 (E_RNA)
where:
Base-Base interactions energy: -617.158
where: short stacking energy: -246.734
Base-Backbone interact. energy: -1.537
local terms energy: -231.126143
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -55.506
flat angles C4'-P-C4' energy: -50.254
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -48.377
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -844.409917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.409917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.809917 (E_RNA)
where:
Base-Base interactions energy: -473.380
where: short stacking energy: -191.053
Base-Backbone interact. energy: 0.982
local terms energy: -233.412606
where:
bonds (distance) C4'-P energy: -61.645
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -36.609
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1460.035928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.035928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.035928 (E_RNA)
where:
Base-Base interactions energy: -890.666
where: short stacking energy: -362.946
Base-Backbone interact. energy: -2.890
local terms energy: -359.480194
where:
bonds (distance) C4'-P energy: -59.673
bonds (distance) P-C4' energy: -74.182
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -99.006
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1421.588629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.588629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.188629 (E_RNA)
where:
Base-Base interactions energy: -848.152
where: short stacking energy: -344.068
Base-Backbone interact. energy: -3.683
local terms energy: -366.353658
where:
bonds (distance) C4'-P energy: -75.485
bonds (distance) P-C4' energy: -72.397
flat angles C4'-P-C4' energy: -81.143
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: -95.841
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1383.898190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.898190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.698190 (E_RNA)
where:
Base-Base interactions energy: -826.774
where: short stacking energy: -322.838
Base-Backbone interact. energy: -1.921
local terms energy: -341.002994
where:
bonds (distance) C4'-P energy: -69.401
bonds (distance) P-C4' energy: -68.988
flat angles C4'-P-C4' energy: -76.207
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: -75.525
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1296.871482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.871482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.071482 (E_RNA)
where:
Base-Base interactions energy: -739.845
where: short stacking energy: -307.172
Base-Backbone interact. energy: -0.538
local terms energy: -338.689036
where:
bonds (distance) C4'-P energy: -74.981
bonds (distance) P-C4' energy: -67.535
flat angles C4'-P-C4' energy: -69.549
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -79.504
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1289.343018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.343018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.943018 (E_RNA)
where:
Base-Base interactions energy: -767.860
where: short stacking energy: -307.500
Base-Backbone interact. energy: -2.771
local terms energy: -315.312259
where:
bonds (distance) C4'-P energy: -65.417
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -66.282
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -82.408
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1240.923826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.923826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.523826 (E_RNA)
where:
Base-Base interactions energy: -723.804
where: short stacking energy: -291.509
Base-Backbone interact. energy: -1.706
local terms energy: -303.014083
where:
bonds (distance) C4'-P energy: -58.386
bonds (distance) P-C4' energy: -62.940
flat angles C4'-P-C4' energy: -74.637
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -70.585
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1188.616442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.616442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.016442 (E_RNA)
where:
Base-Base interactions energy: -688.692
where: short stacking energy: -263.993
Base-Backbone interact. energy: 2.151
local terms energy: -309.476018
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -67.966
flat angles C4'-P-C4' energy: -78.965
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -65.689
Dist. restrs. and SS energy: -192.600 (S_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: 311
Temperature: 1.250000
Total energy: -1191.070742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.070742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.270742 (E_RNA)
where:
Base-Base interactions energy: -686.552
where: short stacking energy: -272.814
Base-Backbone interact. energy: -1.740
local terms energy: -311.978969
where:
bonds (distance) C4'-P energy: -58.889
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -65.408
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -70.499
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1059.133036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.133036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.733036 (E_RNA)
where:
Base-Base interactions energy: -596.043
where: short stacking energy: -236.544
Base-Backbone interact. energy: 1.241
local terms energy: -269.930652
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -70.865
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -52.397
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -874.664532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.664532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.864532 (E_RNA)
where:
Base-Base interactions energy: -461.353
where: short stacking energy: -183.861
Base-Backbone interact. energy: 2.907
local terms energy: -261.418275
where:
bonds (distance) C4'-P energy: -57.542
bonds (distance) P-C4' energy: -71.455
flat angles C4'-P-C4' energy: -78.901
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -24.034
Dist. restrs. and SS energy: -154.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1467.910686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.910686 (E_RNA)
where:
Base-Base interactions energy: -872.829
where: short stacking energy: -365.576
Base-Backbone interact. energy: -1.366
local terms energy: -386.716261
where:
bonds (distance) C4'-P energy: -72.100
bonds (distance) P-C4' energy: -69.200
flat angles C4'-P-C4' energy: -84.737
flat angles P-C4'-P energy: -52.169
tors. eta vs tors. theta energy: -108.510
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1404.767173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.767173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.167173 (E_RNA)
where:
Base-Base interactions energy: -848.905
where: short stacking energy: -345.583
Base-Backbone interact. energy: 5.547
local terms energy: -359.809362
where:
bonds (distance) C4'-P energy: -59.567
bonds (distance) P-C4' energy: -74.228
flat angles C4'-P-C4' energy: -80.967
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -98.034
Dist. restrs. and SS energy: -201.600 (S_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: 312
Temperature: 1.000000
Total energy: -1372.734140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.734140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.334140 (E_RNA)
where:
Base-Base interactions energy: -806.725
where: short stacking energy: -304.422
Base-Backbone interact. energy: -1.852
local terms energy: -351.756940
where:
bonds (distance) C4'-P energy: -80.452
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -77.519
flat angles P-C4'-P energy: -55.934
tors. eta vs tors. theta energy: -75.852
Dist. restrs. and SS energy: -212.400 (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: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1305.999971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.999971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.799971 (E_RNA)
where:
Base-Base interactions energy: -754.953
where: short stacking energy: -315.187
Base-Backbone interact. energy: -1.536
local terms energy: -335.310073
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -74.085
flat angles P-C4'-P energy: -49.450
tors. eta vs tors. theta energy: -80.258
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1312.132620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.132620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.932620 (E_RNA)
where:
Base-Base interactions energy: -781.580
where: short stacking energy: -323.546
Base-Backbone interact. energy: -3.149
local terms energy: -331.203263
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -74.265
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -79.781
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1274.876314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.876314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.876314 (E_RNA)
where:
Base-Base interactions energy: -743.141
where: short stacking energy: -297.477
Base-Backbone interact. energy: 4.445
local terms energy: -320.179851
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -70.951
flat angles C4'-P-C4' energy: -73.622
flat angles P-C4'-P energy: -43.651
tors. eta vs tors. theta energy: -75.312
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1221.140642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.140642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.940642 (E_RNA)
where:
Base-Base interactions energy: -703.549
where: short stacking energy: -273.534
Base-Backbone interact. energy: 0.243
local terms energy: -321.633992
where:
bonds (distance) C4'-P energy: -64.632
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -70.354
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -81.998
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1114.116560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.516560 (E_RNA)
where:
Base-Base interactions energy: -637.418
where: short stacking energy: -246.651
Base-Backbone interact. energy: -0.686
local terms energy: -274.412904
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -63.788
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -51.250
Dist. restrs. and SS energy: -201.600 (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: 312
Temperature: 1.300000
Total energy: -1078.458998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.458998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.458998 (E_RNA)
where:
Base-Base interactions energy: -606.536
where: short stacking energy: -243.914
Base-Backbone interact. energy: 4.317
local terms energy: -287.240022
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -68.803
flat angles C4'-P-C4' energy: -71.363
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -57.664
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -902.135300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.135300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.535300 (E_RNA)
where:
Base-Base interactions energy: -497.236
where: short stacking energy: -207.560
Base-Backbone interact. energy: -0.636
local terms energy: -247.663892
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -61.844
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1456.688395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.688395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.088395 (E_RNA)
where:
Base-Base interactions energy: -866.317
where: short stacking energy: -373.840
Base-Backbone interact. energy: -3.391
local terms energy: -385.379863
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -69.166
flat angles C4'-P-C4' energy: -88.874
flat angles P-C4'-P energy: -60.624
tors. eta vs tors. theta energy: -103.025
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1422.339881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.339881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.339881 (E_RNA)
where:
Base-Base interactions energy: -849.410
where: short stacking energy: -345.707
Base-Backbone interact. energy: 0.060
local terms energy: -374.990710
where:
bonds (distance) C4'-P energy: -74.921
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -85.361
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -92.412
Dist. restrs. and SS energy: -198.000 (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: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1386.729185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.729185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.329185 (E_RNA)
where:
Base-Base interactions energy: -835.084
where: short stacking energy: -326.818
Base-Backbone interact. energy: -2.142
local terms energy: -337.103653
where:
bonds (distance) C4'-P energy: -72.218
bonds (distance) P-C4' energy: -77.059
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -35.802
tors. eta vs tors. theta energy: -79.669
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1375.110405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.110405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.510405 (E_RNA)
where:
Base-Base interactions energy: -820.983
where: short stacking energy: -326.326
Base-Backbone interact. energy: -1.383
local terms energy: -351.143794
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -79.375
flat angles P-C4'-P energy: -58.168
tors. eta vs tors. theta energy: -84.414
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1260.385431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.385431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.385431 (E_RNA)
where:
Base-Base interactions energy: -721.047
where: short stacking energy: -288.055
Base-Backbone interact. energy: -0.385
local terms energy: -322.953746
where:
bonds (distance) C4'-P energy: -62.989
bonds (distance) P-C4' energy: -66.016
flat angles C4'-P-C4' energy: -70.630
flat angles P-C4'-P energy: -46.893
tors. eta vs tors. theta energy: -76.427
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1237.957131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.157131 (E_RNA)
where:
Base-Base interactions energy: -719.458
where: short stacking energy: -279.412
Base-Backbone interact. energy: -0.789
local terms energy: -299.909785
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -70.589
flat angles C4'-P-C4' energy: -72.650
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -65.264
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1218.569092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.569092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.169092 (E_RNA)
where:
Base-Base interactions energy: -714.189
where: short stacking energy: -285.344
Base-Backbone interact. energy: -1.893
local terms energy: -299.087179
where:
bonds (distance) C4'-P energy: -63.213
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -70.388
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -72.007
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1096.925538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.925538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.925538 (E_RNA)
where:
Base-Base interactions energy: -607.814
where: short stacking energy: -254.727
Base-Backbone interact. energy: -0.748
local terms energy: -299.363963
where:
bonds (distance) C4'-P energy: -61.589
bonds (distance) P-C4' energy: -57.079
flat angles C4'-P-C4' energy: -73.868
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -63.927
Dist. restrs. and SS energy: -189.000 (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: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1044.368733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.368733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.768733 (E_RNA)
where:
Base-Base interactions energy: -621.170
where: short stacking energy: -259.883
Base-Backbone interact. energy: -0.200
local terms energy: -239.398666
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -48.419
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -53.180
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -881.202299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.202299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.202299 (E_RNA)
where:
Base-Base interactions energy: -492.273
where: short stacking energy: -186.030
Base-Backbone interact. energy: -1.259
local terms energy: -234.670083
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -65.224
flat angles P-C4'-P energy: -30.850
tors. eta vs tors. theta energy: -28.759
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1458.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.332652 (E_RNA)
where:
Base-Base interactions energy: -875.194
where: short stacking energy: -358.536
Base-Backbone interact. energy: 2.008
local terms energy: -376.146937
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -69.409
flat angles C4'-P-C4' energy: -80.021
flat angles P-C4'-P energy: -60.978
tors. eta vs tors. theta energy: -96.738
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1412.719517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.719517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.919517 (E_RNA)
where:
Base-Base interactions energy: -833.858
where: short stacking energy: -344.727
Base-Backbone interact. energy: -1.922
local terms energy: -377.139679
where:
bonds (distance) C4'-P energy: -69.117
bonds (distance) P-C4' energy: -74.259
flat angles C4'-P-C4' energy: -79.712
flat angles P-C4'-P energy: -54.793
tors. eta vs tors. theta energy: -99.258
Dist. restrs. and SS energy: -199.800 (S_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: 314
Temperature: 1.000000
Total energy: -1389.901931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.901931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.701931 (E_RNA)
where:
Base-Base interactions energy: -829.587
where: short stacking energy: -315.417
Base-Backbone interact. energy: -1.783
local terms energy: -344.331928
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -69.637
flat angles C4'-P-C4' energy: -82.601
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -82.304
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1343.695502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.695502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.895502 (E_RNA)
where:
Base-Base interactions energy: -816.449
where: short stacking energy: -331.342
Base-Backbone interact. energy: -2.203
local terms energy: -325.242702
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -73.183
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -90.861
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1288.892672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.892672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.092672 (E_RNA)
where:
Base-Base interactions energy: -741.703
where: short stacking energy: -304.867
Base-Backbone interact. energy: -0.106
local terms energy: -338.283248
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -79.807
flat angles P-C4'-P energy: -50.005
tors. eta vs tors. theta energy: -83.010
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1275.216137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.216137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.216137 (E_RNA)
where:
Base-Base interactions energy: -746.820
where: short stacking energy: -300.960
Base-Backbone interact. energy: -1.995
local terms energy: -310.401125
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -60.162
flat angles C4'-P-C4' energy: -75.472
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -67.400
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1206.956738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.956738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.356738 (E_RNA)
where:
Base-Base interactions energy: -703.590
where: short stacking energy: -271.307
Base-Backbone interact. energy: 1.421
local terms energy: -303.187869
where:
bonds (distance) C4'-P energy: -69.063
bonds (distance) P-C4' energy: -53.818
flat angles C4'-P-C4' energy: -65.468
flat angles P-C4'-P energy: -46.297
tors. eta vs tors. theta energy: -68.541
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1084.865598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.865598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.665598 (E_RNA)
where:
Base-Base interactions energy: -616.289
where: short stacking energy: -229.282
Base-Backbone interact. energy: 3.392
local terms energy: -275.768062
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -74.880
flat angles C4'-P-C4' energy: -58.136
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -48.065
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1054.730451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.730451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.730451 (E_RNA)
where:
Base-Base interactions energy: -596.896
where: short stacking energy: -249.584
Base-Backbone interact. energy: -2.607
local terms energy: -275.227373
where:
bonds (distance) C4'-P energy: -56.343
bonds (distance) P-C4' energy: -63.554
flat angles C4'-P-C4' energy: -61.117
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -48.668
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -866.460497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.460497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.460497 (E_RNA)
where:
Base-Base interactions energy: -458.827
where: short stacking energy: -178.922
Base-Backbone interact. energy: 0.612
local terms energy: -255.245246
where:
bonds (distance) C4'-P energy: -61.190
bonds (distance) P-C4' energy: -67.852
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -34.368
tors. eta vs tors. theta energy: -28.899
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1459.921917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.921917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.121917 (E_RNA)
where:
Base-Base interactions energy: -874.028
where: short stacking energy: -358.192
Base-Backbone interact. energy: -2.094
local terms energy: -374.999887
where:
bonds (distance) C4'-P energy: -78.457
bonds (distance) P-C4' energy: -75.814
flat angles C4'-P-C4' energy: -73.110
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: -95.886
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1437.817397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.817397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.417397 (E_RNA)
where:
Base-Base interactions energy: -871.353
where: short stacking energy: -338.037
Base-Backbone interact. energy: 0.810
local terms energy: -354.874110
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -72.882
flat angles C4'-P-C4' energy: -81.891
flat angles P-C4'-P energy: -53.577
tors. eta vs tors. theta energy: -88.637
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1409.838778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.838778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.838778 (E_RNA)
where:
Base-Base interactions energy: -863.002
where: short stacking energy: -350.429
Base-Backbone interact. energy: -1.866
local terms energy: -346.971347
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -66.951
flat angles C4'-P-C4' energy: -79.305
flat angles P-C4'-P energy: -49.730
tors. eta vs tors. theta energy: -87.809
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1357.394576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.394576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.794576 (E_RNA)
where:
Base-Base interactions energy: -803.904
where: short stacking energy: -319.418
Base-Backbone interact. energy: -2.712
local terms energy: -349.179481
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -61.919
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -88.902
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1250.381130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.381130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.181130 (E_RNA)
where:
Base-Base interactions energy: -715.524
where: short stacking energy: -294.490
Base-Backbone interact. energy: 0.903
local terms energy: -321.559998
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -63.936
flat angles C4'-P-C4' energy: -75.235
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -76.178
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1248.156259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.156259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.356259 (E_RNA)
where:
Base-Base interactions energy: -704.399
where: short stacking energy: -286.876
Base-Backbone interact. energy: -1.210
local terms energy: -324.747812
where:
bonds (distance) C4'-P energy: -60.190
bonds (distance) P-C4' energy: -66.908
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -75.116
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1220.092941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.092941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.292941 (E_RNA)
where:
Base-Base interactions energy: -694.386
where: short stacking energy: -279.176
Base-Backbone interact. energy: 2.941
local terms energy: -328.848118
where:
bonds (distance) C4'-P energy: -65.888
bonds (distance) P-C4' energy: -72.798
flat angles C4'-P-C4' energy: -67.882
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -81.485
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1109.325924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.325924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.325924 (E_RNA)
where:
Base-Base interactions energy: -625.612
where: short stacking energy: -254.632
Base-Backbone interact. energy: 0.919
local terms energy: -295.633480
where:
bonds (distance) C4'-P energy: -64.123
bonds (distance) P-C4' energy: -66.653
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -47.113
tors. eta vs tors. theta energy: -52.898
Dist. restrs. and SS energy: -189.000 (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: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1053.702467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.702467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.902467 (E_RNA)
where:
Base-Base interactions energy: -588.058
where: short stacking energy: -248.596
Base-Backbone interact. energy: -1.368
local terms energy: -282.476924
where:
bonds (distance) C4'-P energy: -67.659
bonds (distance) P-C4' energy: -61.834
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -900.933036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.933036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.133036 (E_RNA)
where:
Base-Base interactions energy: -526.980
where: short stacking energy: -223.426
Base-Backbone interact. energy: 0.578
local terms energy: -210.730655
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -35.515
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1453.079647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.079647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.079647 (E_RNA)
where:
Base-Base interactions energy: -865.499
where: short stacking energy: -355.378
Base-Backbone interact. energy: -3.162
local terms energy: -377.418203
where:
bonds (distance) C4'-P energy: -70.838
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -80.655
flat angles P-C4'-P energy: -57.520
tors. eta vs tors. theta energy: -95.817
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1441.472929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.472929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.072929 (E_RNA)
where:
Base-Base interactions energy: -879.412
where: short stacking energy: -340.109
Base-Backbone interact. energy: -1.676
local terms energy: -347.985374
where:
bonds (distance) C4'-P energy: -76.664
bonds (distance) P-C4' energy: -70.197
flat angles C4'-P-C4' energy: -77.252
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -82.531
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1404.946231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.946231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.346231 (E_RNA)
where:
Base-Base interactions energy: -843.730
where: short stacking energy: -358.769
Base-Backbone interact. energy: -1.675
local terms energy: -357.940546
where:
bonds (distance) C4'-P energy: -74.993
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -72.144
flat angles P-C4'-P energy: -48.795
tors. eta vs tors. theta energy: -96.148
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1346.164455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.164455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.564455 (E_RNA)
where:
Base-Base interactions energy: -804.935
where: short stacking energy: -316.733
Base-Backbone interact. energy: -1.057
local terms energy: -338.572512
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -75.043
flat angles C4'-P-C4' energy: -71.254
flat angles P-C4'-P energy: -53.346
tors. eta vs tors. theta energy: -86.094
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1277.780489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.780489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.380489 (E_RNA)
where:
Base-Base interactions energy: -736.165
where: short stacking energy: -307.494
Base-Backbone interact. energy: 1.431
local terms energy: -330.646137
where:
bonds (distance) C4'-P energy: -68.172
bonds (distance) P-C4' energy: -62.912
flat angles C4'-P-C4' energy: -68.983
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -86.862
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1241.431670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.431670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.431670 (E_RNA)
where:
Base-Base interactions energy: -695.789
where: short stacking energy: -293.019
Base-Backbone interact. energy: -1.318
local terms energy: -328.324439
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -67.607
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -79.499
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1212.651748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.651748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.451748 (E_RNA)
where:
Base-Base interactions energy: -698.084
where: short stacking energy: -306.398
Base-Backbone interact. energy: -0.357
local terms energy: -318.011060
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -57.896
flat angles C4'-P-C4' energy: -69.396
flat angles P-C4'-P energy: -49.935
tors. eta vs tors. theta energy: -82.153
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1087.255167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.255167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.855167 (E_RNA)
where:
Base-Base interactions energy: -609.467
where: short stacking energy: -224.119
Base-Backbone interact. energy: 4.197
local terms energy: -287.585697
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -68.387
flat angles C4'-P-C4' energy: -61.586
flat angles P-C4'-P energy: -51.791
tors. eta vs tors. theta energy: -42.658
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1052.084993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.084993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.284993 (E_RNA)
where:
Base-Base interactions energy: -586.442
where: short stacking energy: -231.861
Base-Backbone interact. energy: 3.277
local terms energy: -287.120459
where:
bonds (distance) C4'-P energy: -62.535
bonds (distance) P-C4' energy: -79.561
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -49.575
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -848.058670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.058670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.858670 (E_RNA)
where:
Base-Base interactions energy: -468.554
where: short stacking energy: -182.951
Base-Backbone interact. energy: 1.613
local terms energy: -238.917391
where:
bonds (distance) C4'-P energy: -58.586
bonds (distance) P-C4' energy: -60.766
flat angles C4'-P-C4' energy: -51.046
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1452.439555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.439555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.439555 (E_RNA)
where:
Base-Base interactions energy: -864.968
where: short stacking energy: -360.550
Base-Backbone interact. energy: -2.246
local terms energy: -378.225598
where:
bonds (distance) C4'-P energy: -73.070
bonds (distance) P-C4' energy: -73.895
flat angles C4'-P-C4' energy: -74.686
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -99.319
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1427.133195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.133195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.333195 (E_RNA)
where:
Base-Base interactions energy: -861.551
where: short stacking energy: -340.942
Base-Backbone interact. energy: -3.331
local terms energy: -362.451558
where:
bonds (distance) C4'-P energy: -69.192
bonds (distance) P-C4' energy: -77.281
flat angles C4'-P-C4' energy: -82.881
flat angles P-C4'-P energy: -43.596
tors. eta vs tors. theta energy: -89.502
Dist. restrs. and SS energy: -199.800 (S_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: 317
Temperature: 1.000000
Total energy: -1413.192975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.192975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.792975 (E_RNA)
where:
Base-Base interactions energy: -859.725
where: short stacking energy: -328.118
Base-Backbone interact. energy: 0.864
local terms energy: -341.931921
where:
bonds (distance) C4'-P energy: -70.569
bonds (distance) P-C4' energy: -64.557
flat angles C4'-P-C4' energy: -71.908
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1389.282713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.282713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.882713 (E_RNA)
where:
Base-Base interactions energy: -835.787
where: short stacking energy: -333.325
Base-Backbone interact. energy: -1.222
local terms energy: -348.873968
where:
bonds (distance) C4'-P energy: -75.276
bonds (distance) P-C4' energy: -65.203
flat angles C4'-P-C4' energy: -74.196
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -87.473
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. 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: -1263.652120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.652120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.052120 (E_RNA)
where:
Base-Base interactions energy: -737.590
where: short stacking energy: -293.198
Base-Backbone interact. energy: -0.205
local terms energy: -315.257021
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -67.385
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -41.388
tors. eta vs tors. theta energy: -60.946
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1243.014476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.014476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.414476 (E_RNA)
where:
Base-Base interactions energy: -705.030
where: short stacking energy: -284.306
Base-Backbone interact. energy: -0.959
local terms energy: -326.425480
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -64.070
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -77.833
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1207.287904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.287904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.287904 (E_RNA)
where:
Base-Base interactions energy: -704.933
where: short stacking energy: -289.396
Base-Backbone interact. energy: 2.352
local terms energy: -306.707062
where:
bonds (distance) C4'-P energy: -61.207
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -79.500
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -80.256
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1087.007221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.007221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.607221 (E_RNA)
where:
Base-Base interactions energy: -621.705
where: short stacking energy: -247.466
Base-Backbone interact. energy: 0.070
local terms energy: -270.973103
where:
bonds (distance) C4'-P energy: -56.424
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -50.975
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1085.749891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.749891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.949891 (E_RNA)
where:
Base-Base interactions energy: -640.448
where: short stacking energy: -256.181
Base-Backbone interact. energy: 0.990
local terms energy: -255.492620
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -54.040
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -855.767660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.767660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.967660 (E_RNA)
where:
Base-Base interactions energy: -477.591
where: short stacking energy: -181.808
Base-Backbone interact. energy: -1.675
local terms energy: -230.700858
where:
bonds (distance) C4'-P energy: -48.889
bonds (distance) P-C4' energy: -54.862
flat angles C4'-P-C4' energy: -66.676
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1457.965297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.965297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.765297 (E_RNA)
where:
Base-Base interactions energy: -858.116
where: short stacking energy: -344.172
Base-Backbone interact. energy: -1.119
local terms energy: -393.530715
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -80.625
flat angles C4'-P-C4' energy: -76.063
flat angles P-C4'-P energy: -65.483
tors. eta vs tors. theta energy: -94.812
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1436.520187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.520187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.920187 (E_RNA)
where:
Base-Base interactions energy: -862.619
where: short stacking energy: -358.172
Base-Backbone interact. energy: -2.151
local terms energy: -370.149787
where:
bonds (distance) C4'-P energy: -72.707
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -86.501
flat angles P-C4'-P energy: -45.853
tors. eta vs tors. theta energy: -97.680
Dist. restrs. and SS energy: -201.600 (S_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: 318
Temperature: 1.000000
Total energy: -1426.737837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.737837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.537837 (E_RNA)
where:
Base-Base interactions energy: -849.039
where: short stacking energy: -331.007
Base-Backbone interact. energy: -0.711
local terms energy: -362.787047
where:
bonds (distance) C4'-P energy: -70.101
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -84.493
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -81.314
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1358.464755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.464755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.464755 (E_RNA)
where:
Base-Base interactions energy: -799.177
where: short stacking energy: -339.571
Base-Backbone interact. energy: -2.344
local terms energy: -349.944056
where:
bonds (distance) C4'-P energy: -71.235
bonds (distance) P-C4' energy: -62.934
flat angles C4'-P-C4' energy: -73.549
flat angles P-C4'-P energy: -45.363
tors. eta vs tors. theta energy: -96.862
Dist. restrs. and SS energy: -207.000 (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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1258.024583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.024583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.624583 (E_RNA)
where:
Base-Base interactions energy: -702.876
where: short stacking energy: -276.194
Base-Backbone interact. energy: -1.892
local terms energy: -340.855955
where:
bonds (distance) C4'-P energy: -70.778
bonds (distance) P-C4' energy: -70.233
flat angles C4'-P-C4' energy: -77.839
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -68.362
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1236.149472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.149472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.349472 (E_RNA)
where:
Base-Base interactions energy: -713.923
where: short stacking energy: -301.150
Base-Backbone interact. energy: -2.304
local terms energy: -311.122533
where:
bonds (distance) C4'-P energy: -63.553
bonds (distance) P-C4' energy: -60.542
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -69.118
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1213.287321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.287321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.487321 (E_RNA)
where:
Base-Base interactions energy: -708.840
where: short stacking energy: -274.592
Base-Backbone interact. energy: -0.795
local terms energy: -303.851839
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -60.944
flat angles C4'-P-C4' energy: -66.523
flat angles P-C4'-P energy: -45.168
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1127.877113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.877113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.277113 (E_RNA)
where:
Base-Base interactions energy: -628.146
where: short stacking energy: -245.748
Base-Backbone interact. energy: -2.218
local terms energy: -286.913075
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -60.664
flat angles C4'-P-C4' energy: -70.289
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -69.159
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1035.061671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.061671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.061671 (E_RNA)
where:
Base-Base interactions energy: -587.186
where: short stacking energy: -231.189
Base-Backbone interact. energy: -3.049
local terms energy: -264.826424
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -71.202
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -853.500204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.500204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.500204 (E_RNA)
where:
Base-Base interactions energy: -465.423
where: short stacking energy: -192.928
Base-Backbone interact. energy: 2.114
local terms energy: -246.191269
where:
bonds (distance) C4'-P energy: -66.143
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1468.783453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.783453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.983453 (E_RNA)
where:
Base-Base interactions energy: -889.963
where: short stacking energy: -374.923
Base-Backbone interact. energy: -0.707
local terms energy: -369.314091
where:
bonds (distance) C4'-P energy: -58.086
bonds (distance) P-C4' energy: -69.581
flat angles C4'-P-C4' energy: -81.137
flat angles P-C4'-P energy: -58.611
tors. eta vs tors. theta energy: -101.899
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1443.949412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.949412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.149412 (E_RNA)
where:
Base-Base interactions energy: -869.202
where: short stacking energy: -346.560
Base-Backbone interact. energy: -1.020
local terms energy: -373.927757
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -75.932
flat angles C4'-P-C4' energy: -79.692
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -92.031
Dist. restrs. and SS energy: -199.800 (S_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: 319
Temperature: 1.000000
Total energy: -1425.600251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.600251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.600251 (E_RNA)
where:
Base-Base interactions energy: -856.101
where: short stacking energy: -330.017
Base-Backbone interact. energy: -2.344
local terms energy: -360.154772
where:
bonds (distance) C4'-P energy: -65.973
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -83.364
flat angles P-C4'-P energy: -55.977
tors. eta vs tors. theta energy: -85.358
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1355.429433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.429433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.829433 (E_RNA)
where:
Base-Base interactions energy: -802.516
where: short stacking energy: -336.373
Base-Backbone interact. energy: -0.517
local terms energy: -341.796336
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -74.453
flat angles C4'-P-C4' energy: -72.982
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -84.955
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1297.562288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.562288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.562288 (E_RNA)
where:
Base-Base interactions energy: -741.204
where: short stacking energy: -310.123
Base-Backbone interact. energy: -0.923
local terms energy: -339.434494
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -60.132
flat angles C4'-P-C4' energy: -78.396
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1243.690699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.690699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.490699 (E_RNA)
where:
Base-Base interactions energy: -723.584
where: short stacking energy: -287.777
Base-Backbone interact. energy: -1.259
local terms energy: -304.648194
where:
bonds (distance) C4'-P energy: -65.020
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -73.854
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -54.479
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1218.520136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.520136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.720136 (E_RNA)
where:
Base-Base interactions energy: -713.265
where: short stacking energy: -286.627
Base-Backbone interact. energy: -1.685
local terms energy: -303.769621
where:
bonds (distance) C4'-P energy: -65.530
bonds (distance) P-C4' energy: -67.005
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -68.945
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1119.932421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.932421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.132421 (E_RNA)
where:
Base-Base interactions energy: -635.714
where: short stacking energy: -240.483
Base-Backbone interact. energy: -1.709
local terms energy: -282.709340
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -68.888
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -55.273
Dist. restrs. and SS energy: -199.800 (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: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1095.766376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.766376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.566376 (E_RNA)
where:
Base-Base interactions energy: -631.518
where: short stacking energy: -252.869
Base-Backbone interact. energy: -1.495
local terms energy: -266.553602
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -60.818
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -834.584797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.584797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.584797 (E_RNA)
where:
Base-Base interactions energy: -438.349
where: short stacking energy: -178.623
Base-Backbone interact. energy: -1.193
local terms energy: -251.042815
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -59.302
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -51.039
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1490.227014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.227014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.227014 (E_RNA)
where:
Base-Base interactions energy: -899.343
where: short stacking energy: -374.765
Base-Backbone interact. energy: -3.393
local terms energy: -380.490964
where:
bonds (distance) C4'-P energy: -64.889
bonds (distance) P-C4' energy: -78.641
flat angles C4'-P-C4' energy: -74.762
flat angles P-C4'-P energy: -59.195
tors. eta vs tors. theta energy: -103.005
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1446.743118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.743118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.143118 (E_RNA)
where:
Base-Base interactions energy: -880.076
where: short stacking energy: -357.992
Base-Backbone interact. energy: -2.172
local terms energy: -362.894955
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -70.251
flat angles C4'-P-C4' energy: -75.701
flat angles P-C4'-P energy: -50.634
tors. eta vs tors. theta energy: -98.616
Dist. restrs. and SS energy: -201.600 (S_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: 320
Temperature: 1.000000
Total energy: -1417.493120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.493120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.293120 (E_RNA)
where:
Base-Base interactions energy: -854.230
where: short stacking energy: -330.243
Base-Backbone interact. energy: -3.165
local terms energy: -345.897946
where:
bonds (distance) C4'-P energy: -73.349
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -75.357
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -84.528
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1349.892017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.892017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.092017 (E_RNA)
where:
Base-Base interactions energy: -790.147
where: short stacking energy: -323.191
Base-Backbone interact. energy: -1.268
local terms energy: -349.676979
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -71.388
flat angles C4'-P-C4' energy: -71.732
flat angles P-C4'-P energy: -61.615
tors. eta vs tors. theta energy: -85.977
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1295.258184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.458184 (E_RNA)
where:
Base-Base interactions energy: -736.624
where: short stacking energy: -299.097
Base-Backbone interact. energy: -1.748
local terms energy: -339.086353
where:
bonds (distance) C4'-P energy: -63.840
bonds (distance) P-C4' energy: -67.438
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -52.559
tors. eta vs tors. theta energy: -78.833
Dist. restrs. and SS energy: -217.800 (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: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1249.484070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.484070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.284070 (E_RNA)
where:
Base-Base interactions energy: -714.377
where: short stacking energy: -298.033
Base-Backbone interact. energy: -0.480
local terms energy: -320.427428
where:
bonds (distance) C4'-P energy: -65.660
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -74.952
flat angles P-C4'-P energy: -47.401
tors. eta vs tors. theta energy: -77.612
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1204.117874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.117874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.517874 (E_RNA)
where:
Base-Base interactions energy: -696.867
where: short stacking energy: -284.209
Base-Backbone interact. energy: -0.756
local terms energy: -313.895314
where:
bonds (distance) C4'-P energy: -69.685
bonds (distance) P-C4' energy: -60.680
flat angles C4'-P-C4' energy: -67.747
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -75.945
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1129.711983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.711983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.311983 (E_RNA)
where:
Base-Base interactions energy: -633.858
where: short stacking energy: -245.275
Base-Backbone interact. energy: -0.202
local terms energy: -301.251973
where:
bonds (distance) C4'-P energy: -65.671
bonds (distance) P-C4' energy: -68.487
flat angles C4'-P-C4' energy: -69.341
flat angles P-C4'-P energy: -42.951
tors. eta vs tors. theta energy: -54.800
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1122.165579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.165579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.965579 (E_RNA)
where:
Base-Base interactions energy: -652.153
where: short stacking energy: -259.364
Base-Backbone interact. energy: -1.174
local terms energy: -272.638287
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -60.475
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -56.307
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -845.671693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.671693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.471693 (E_RNA)
where:
Base-Base interactions energy: -459.702
where: short stacking energy: -184.816
Base-Backbone interact. energy: -0.750
local terms energy: -243.019620
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -34.716
tors. eta vs tors. theta energy: -27.499
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1447.222557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.222557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.422557 (E_RNA)
where:
Base-Base interactions energy: -881.149
where: short stacking energy: -357.594
Base-Backbone interact. energy: -0.935
local terms energy: -356.338618
where:
bonds (distance) C4'-P energy: -62.726
bonds (distance) P-C4' energy: -71.434
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -48.019
tors. eta vs tors. theta energy: -100.646
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1435.146681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.146681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.346681 (E_RNA)
where:
Base-Base interactions energy: -855.355
where: short stacking energy: -351.905
Base-Backbone interact. energy: -3.762
local terms energy: -376.229399
where:
bonds (distance) C4'-P energy: -64.593
bonds (distance) P-C4' energy: -80.305
flat angles C4'-P-C4' energy: -79.627
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: -97.316
Dist. restrs. and SS energy: -199.800 (S_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: 321
Temperature: 1.000000
Total energy: -1436.011660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.011660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.411660 (E_RNA)
where:
Base-Base interactions energy: -864.162
where: short stacking energy: -335.299
Base-Backbone interact. energy: -1.649
local terms energy: -359.600755
where:
bonds (distance) C4'-P energy: -68.141
bonds (distance) P-C4' energy: -75.523
flat angles C4'-P-C4' energy: -73.689
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -86.938
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1341.508559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.508559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.508559 (E_RNA)
where:
Base-Base interactions energy: -770.594
where: short stacking energy: -331.466
Base-Backbone interact. energy: 4.959
local terms energy: -368.873726
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -75.616
flat angles C4'-P-C4' energy: -74.975
flat angles P-C4'-P energy: -50.217
tors. eta vs tors. theta energy: -98.791
Dist. restrs. and SS energy: -207.000 (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: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1285.322278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.322278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.322278 (E_RNA)
where:
Base-Base interactions energy: -730.813
where: short stacking energy: -294.390
Base-Backbone interact. energy: -2.449
local terms energy: -336.060285
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -78.518
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -81.296
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1280.968978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.968978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.768978 (E_RNA)
where:
Base-Base interactions energy: -744.938
where: short stacking energy: -311.116
Base-Backbone interact. energy: -2.213
local terms energy: -319.618596
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -67.397
flat angles C4'-P-C4' energy: -71.101
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: -77.903
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1208.046644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.046644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.446644 (E_RNA)
where:
Base-Base interactions energy: -706.691
where: short stacking energy: -285.593
Base-Backbone interact. energy: -0.255
local terms energy: -299.501117
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -62.434
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -76.903
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1165.449291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.449291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.849291 (E_RNA)
where:
Base-Base interactions energy: -673.665
where: short stacking energy: -243.124
Base-Backbone interact. energy: 1.305
local terms energy: -291.489931
where:
bonds (distance) C4'-P energy: -69.078
bonds (distance) P-C4' energy: -62.115
flat angles C4'-P-C4' energy: -60.374
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -62.399
Dist. restrs. and SS energy: -201.600 (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: 321
Temperature: 1.300000
Total energy: -1091.758537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.758537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.958537 (E_RNA)
where:
Base-Base interactions energy: -624.692
where: short stacking energy: -259.312
Base-Backbone interact. energy: 1.231
local terms energy: -268.497654
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -55.133
flat angles C4'-P-C4' energy: -63.023
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -58.479
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -866.669120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.669120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.269120 (E_RNA)
where:
Base-Base interactions energy: -481.045
where: short stacking energy: -208.348
Base-Backbone interact. energy: 0.663
local terms energy: -236.887066
where:
bonds (distance) C4'-P energy: -55.590
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1442.501366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.501366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.701366 (E_RNA)
where:
Base-Base interactions energy: -857.387
where: short stacking energy: -355.660
Base-Backbone interact. energy: -0.663
local terms energy: -375.650598
where:
bonds (distance) C4'-P energy: -83.735
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -84.616
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: -96.810
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1418.215911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.215911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.415911 (E_RNA)
where:
Base-Base interactions energy: -846.154
where: short stacking energy: -334.583
Base-Backbone interact. energy: -2.375
local terms energy: -369.886967
where:
bonds (distance) C4'-P energy: -69.867
bonds (distance) P-C4' energy: -77.076
flat angles C4'-P-C4' energy: -82.880
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -88.059
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1381.557504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.557504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.157504 (E_RNA)
where:
Base-Base interactions energy: -809.569
where: short stacking energy: -330.197
Base-Backbone interact. energy: -3.684
local terms energy: -364.904646
where:
bonds (distance) C4'-P energy: -64.423
bonds (distance) P-C4' energy: -65.335
flat angles C4'-P-C4' energy: -84.299
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -95.033
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1404.575134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.575134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.975134 (E_RNA)
where:
Base-Base interactions energy: -841.680
where: short stacking energy: -336.741
Base-Backbone interact. energy: -0.504
local terms energy: -351.791656
where:
bonds (distance) C4'-P energy: -58.200
bonds (distance) P-C4' energy: -70.061
flat angles C4'-P-C4' energy: -82.331
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -86.768
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1291.725988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.725988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.725988 (E_RNA)
where:
Base-Base interactions energy: -753.524
where: short stacking energy: -325.997
Base-Backbone interact. energy: -1.254
local terms energy: -320.947613
where:
bonds (distance) C4'-P energy: -64.685
bonds (distance) P-C4' energy: -62.281
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -89.047
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1269.929916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.929916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.929916 (E_RNA)
where:
Base-Base interactions energy: -735.486
where: short stacking energy: -300.819
Base-Backbone interact. energy: -3.490
local terms energy: -314.953456
where:
bonds (distance) C4'-P energy: -77.470
bonds (distance) P-C4' energy: -65.474
flat angles C4'-P-C4' energy: -61.071
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -73.608
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1204.222298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.222298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.822298 (E_RNA)
where:
Base-Base interactions energy: -710.127
where: short stacking energy: -284.852
Base-Backbone interact. energy: 0.785
local terms energy: -300.480102
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -68.364
Dist. restrs. and SS energy: -194.400 (S_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: -1192.820582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.820582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.020582 (E_RNA)
where:
Base-Base interactions energy: -693.279
where: short stacking energy: -287.654
Base-Backbone interact. energy: -1.015
local terms energy: -307.726196
where:
bonds (distance) C4'-P energy: -55.124
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -63.021
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -78.265
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1129.158007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.158007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.558007 (E_RNA)
where:
Base-Base interactions energy: -631.045
where: short stacking energy: -260.487
Base-Backbone interact. energy: -1.599
local terms energy: -285.913141
where:
bonds (distance) C4'-P energy: -55.563
bonds (distance) P-C4' energy: -74.477
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -59.473
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -894.178679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.178679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.778679 (E_RNA)
where:
Base-Base interactions energy: -505.866
where: short stacking energy: -210.951
Base-Backbone interact. energy: 2.365
local terms energy: -241.277644
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -51.908
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1475.822075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.822075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.222075 (E_RNA)
where:
Base-Base interactions energy: -878.472
where: short stacking energy: -362.386
Base-Backbone interact. energy: -1.920
local terms energy: -393.830140
where:
bonds (distance) C4'-P energy: -69.862
bonds (distance) P-C4' energy: -79.531
flat angles C4'-P-C4' energy: -85.224
flat angles P-C4'-P energy: -61.145
tors. eta vs tors. theta energy: -98.068
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1415.030548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.030548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.030548 (E_RNA)
where:
Base-Base interactions energy: -841.745
where: short stacking energy: -333.208
Base-Backbone interact. energy: -2.797
local terms energy: -372.488974
where:
bonds (distance) C4'-P energy: -68.249
bonds (distance) P-C4' energy: -75.148
flat angles C4'-P-C4' energy: -80.440
flat angles P-C4'-P energy: -59.343
tors. eta vs tors. theta energy: -89.308
Dist. restrs. and SS energy: -198.000 (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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1379.617481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.617481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.817481 (E_RNA)
where:
Base-Base interactions energy: -826.348
where: short stacking energy: -324.456
Base-Backbone interact. energy: -0.455
local terms energy: -344.014248
where:
bonds (distance) C4'-P energy: -67.388
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -72.121
flat angles P-C4'-P energy: -55.288
tors. eta vs tors. theta energy: -87.039
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1397.191298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.191298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.391298 (E_RNA)
where:
Base-Base interactions energy: -845.712
where: short stacking energy: -334.879
Base-Backbone interact. energy: -2.947
local terms energy: -339.731356
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1263.939215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.939215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.939215 (E_RNA)
where:
Base-Base interactions energy: -721.344
where: short stacking energy: -289.573
Base-Backbone interact. energy: -0.034
local terms energy: -326.561871
where:
bonds (distance) C4'-P energy: -74.554
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -70.191
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1276.580419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.580419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.180419 (E_RNA)
where:
Base-Base interactions energy: -728.545
where: short stacking energy: -295.756
Base-Backbone interact. energy: -1.961
local terms energy: -333.674141
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -68.443
flat angles C4'-P-C4' energy: -78.350
flat angles P-C4'-P energy: -61.639
tors. eta vs tors. theta energy: -68.468
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1172.708732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.708732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.708732 (E_RNA)
where:
Base-Base interactions energy: -676.417
where: short stacking energy: -283.078
Base-Backbone interact. energy: -3.602
local terms energy: -294.689531
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -67.946
flat angles C4'-P-C4' energy: -67.547
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -63.111
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1166.862426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.862426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.862426 (E_RNA)
where:
Base-Base interactions energy: -683.921
where: short stacking energy: -288.563
Base-Backbone interact. energy: -1.103
local terms energy: -283.838470
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -55.729
flat angles C4'-P-C4' energy: -59.966
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -77.820
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1113.745706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.745706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.345706 (E_RNA)
where:
Base-Base interactions energy: -642.986
where: short stacking energy: -245.743
Base-Backbone interact. energy: -1.741
local terms energy: -265.618780
where:
bonds (distance) C4'-P energy: -53.711
bonds (distance) P-C4' energy: -58.884
flat angles C4'-P-C4' energy: -60.666
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -64.659
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -921.721718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.721718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.321718 (E_RNA)
where:
Base-Base interactions energy: -502.185
where: short stacking energy: -203.878
Base-Backbone interact. energy: 0.212
local terms energy: -261.348962
where:
bonds (distance) C4'-P energy: -59.920
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: -46.357
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1455.848682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.848682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.048682 (E_RNA)
where:
Base-Base interactions energy: -866.530
where: short stacking energy: -364.177
Base-Backbone interact. energy: -1.867
local terms energy: -378.652637
where:
bonds (distance) C4'-P energy: -73.924
bonds (distance) P-C4' energy: -71.008
flat angles C4'-P-C4' energy: -85.292
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -99.407
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1404.383804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.383804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.983804 (E_RNA)
where:
Base-Base interactions energy: -830.132
where: short stacking energy: -333.890
Base-Backbone interact. energy: -1.389
local terms energy: -369.462886
where:
bonds (distance) C4'-P energy: -77.160
bonds (distance) P-C4' energy: -69.619
flat angles C4'-P-C4' energy: -77.189
flat angles P-C4'-P energy: -48.532
tors. eta vs tors. theta energy: -96.963
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1373.237886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.237886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.837886 (E_RNA)
where:
Base-Base interactions energy: -800.946
where: short stacking energy: -330.817
Base-Backbone interact. energy: -2.980
local terms energy: -356.912479
where:
bonds (distance) C4'-P energy: -67.764
bonds (distance) P-C4' energy: -68.434
flat angles C4'-P-C4' energy: -77.505
flat angles P-C4'-P energy: -48.287
tors. eta vs tors. theta energy: -94.923
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1391.423857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.423857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.623857 (E_RNA)
where:
Base-Base interactions energy: -835.845
where: short stacking energy: -319.677
Base-Backbone interact. energy: -3.891
local terms energy: -342.887989
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -70.817
flat angles C4'-P-C4' energy: -73.497
flat angles P-C4'-P energy: -52.237
tors. eta vs tors. theta energy: -89.949
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1291.905671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.905671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.905671 (E_RNA)
where:
Base-Base interactions energy: -751.628
where: short stacking energy: -292.590
Base-Backbone interact. energy: -1.789
local terms energy: -331.488244
where:
bonds (distance) C4'-P energy: -71.820
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -75.602
flat angles P-C4'-P energy: -42.526
tors. eta vs tors. theta energy: -78.557
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1235.105590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.105590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.505590 (E_RNA)
where:
Base-Base interactions energy: -695.820
where: short stacking energy: -289.484
Base-Backbone interact. energy: -1.045
local terms energy: -327.640778
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -63.113
flat angles C4'-P-C4' energy: -77.779
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -75.213
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1203.409068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.409068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.809068 (E_RNA)
where:
Base-Base interactions energy: -682.537
where: short stacking energy: -275.237
Base-Backbone interact. energy: -0.008
local terms energy: -328.264012
where:
bonds (distance) C4'-P energy: -72.579
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -71.788
flat angles P-C4'-P energy: -55.401
tors. eta vs tors. theta energy: -65.656
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1121.765793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.765793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.765793 (E_RNA)
where:
Base-Base interactions energy: -630.365
where: short stacking energy: -248.827
Base-Backbone interact. energy: -0.758
local terms energy: -292.642590
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -60.181
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -49.063
tors. eta vs tors. theta energy: -56.037
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1117.834725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.834725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.634725 (E_RNA)
where:
Base-Base interactions energy: -650.058
where: short stacking energy: -235.499
Base-Backbone interact. energy: -0.719
local terms energy: -261.858104
where:
bonds (distance) C4'-P energy: -60.115
bonds (distance) P-C4' energy: -49.423
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -52.228
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -919.730037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.730037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.530037 (E_RNA)
where:
Base-Base interactions energy: -540.597
where: short stacking energy: -203.229
Base-Backbone interact. energy: 2.239
local terms energy: -221.172256
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -37.935
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1458.291182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.291182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.891182 (E_RNA)
where:
Base-Base interactions energy: -875.954
where: short stacking energy: -348.549
Base-Backbone interact. energy: -1.773
local terms energy: -377.164020
where:
bonds (distance) C4'-P energy: -68.560
bonds (distance) P-C4' energy: -73.311
flat angles C4'-P-C4' energy: -87.007
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -98.645
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1438.749110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.749110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.149110 (E_RNA)
where:
Base-Base interactions energy: -865.125
where: short stacking energy: -343.837
Base-Backbone interact. energy: -2.085
local terms energy: -369.939707
where:
bonds (distance) C4'-P energy: -65.471
bonds (distance) P-C4' energy: -69.403
flat angles C4'-P-C4' energy: -89.146
flat angles P-C4'-P energy: -58.397
tors. eta vs tors. theta energy: -87.523
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1422.816786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.816786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.816786 (E_RNA)
where:
Base-Base interactions energy: -833.925
where: short stacking energy: -356.540
Base-Backbone interact. energy: 0.082
local terms energy: -381.973768
where:
bonds (distance) C4'-P energy: -63.053
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -78.642
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -104.353
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1395.472660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.472660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.872660 (E_RNA)
where:
Base-Base interactions energy: -847.081
where: short stacking energy: -317.782
Base-Backbone interact. energy: -2.666
local terms energy: -335.125919
where:
bonds (distance) C4'-P energy: -59.214
bonds (distance) P-C4' energy: -70.580
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -79.807
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1287.567701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.567701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.167701 (E_RNA)
where:
Base-Base interactions energy: -746.175
where: short stacking energy: -308.571
Base-Backbone interact. energy: 0.591
local terms energy: -329.583357
where:
bonds (distance) C4'-P energy: -62.051
bonds (distance) P-C4' energy: -64.371
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -76.668
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1214.210804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.210804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.410804 (E_RNA)
where:
Base-Base interactions energy: -695.610
where: short stacking energy: -273.385
Base-Backbone interact. energy: 3.094
local terms energy: -303.894559
where:
bonds (distance) C4'-P energy: -53.430
bonds (distance) P-C4' energy: -62.207
flat angles C4'-P-C4' energy: -71.264
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -72.289
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1204.663446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.663446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.663446 (E_RNA)
where:
Base-Base interactions energy: -703.537
where: short stacking energy: -280.398
Base-Backbone interact. energy: 0.351
local terms energy: -303.478274
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -62.936
flat angles C4'-P-C4' energy: -68.914
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -75.487
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1113.984451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.984451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.384451 (E_RNA)
where:
Base-Base interactions energy: -640.508
where: short stacking energy: -251.902
Base-Backbone interact. energy: -1.435
local terms energy: -279.442072
where:
bonds (distance) C4'-P energy: -61.963
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -65.098
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -55.917
Dist. restrs. and SS energy: -192.600 (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: 325
Temperature: 1.300000
Total energy: -1138.677953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.677953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.077953 (E_RNA)
where:
Base-Base interactions energy: -644.266
where: short stacking energy: -262.229
Base-Backbone interact. energy: -1.182
local terms energy: -291.629570
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -63.190
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -965.781529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.781529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.981529 (E_RNA)
where:
Base-Base interactions energy: -543.273
where: short stacking energy: -220.521
Base-Backbone interact. energy: -2.165
local terms energy: -256.543035
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -65.692
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -44.745
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1460.588714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.588714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.188714 (E_RNA)
where:
Base-Base interactions energy: -873.992
where: short stacking energy: -352.688
Base-Backbone interact. energy: -1.994
local terms energy: -381.202910
where:
bonds (distance) C4'-P energy: -72.407
bonds (distance) P-C4' energy: -78.939
flat angles C4'-P-C4' energy: -77.361
flat angles P-C4'-P energy: -57.163
tors. eta vs tors. theta energy: -95.334
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1440.143391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.143391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.743391 (E_RNA)
where:
Base-Base interactions energy: -861.425
where: short stacking energy: -347.847
Base-Backbone interact. energy: -0.869
local terms energy: -374.450364
where:
bonds (distance) C4'-P energy: -61.186
bonds (distance) P-C4' energy: -76.720
flat angles C4'-P-C4' energy: -85.497
flat angles P-C4'-P energy: -56.823
tors. eta vs tors. theta energy: -94.225
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1397.784478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.784478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.584478 (E_RNA)
where:
Base-Base interactions energy: -838.392
where: short stacking energy: -318.093
Base-Backbone interact. energy: -0.977
local terms energy: -353.214876
where:
bonds (distance) C4'-P energy: -60.133
bonds (distance) P-C4' energy: -81.324
flat angles C4'-P-C4' energy: -75.190
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: -83.856
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1349.568397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.568397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.568397 (E_RNA)
where:
Base-Base interactions energy: -788.614
where: short stacking energy: -316.135
Base-Backbone interact. energy: 0.227
local terms energy: -354.181115
where:
bonds (distance) C4'-P energy: -75.571
bonds (distance) P-C4' energy: -67.327
flat angles C4'-P-C4' energy: -76.448
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: -85.324
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1284.295712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.295712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.895712 (E_RNA)
where:
Base-Base interactions energy: -736.977
where: short stacking energy: -298.739
Base-Backbone interact. energy: -0.543
local terms energy: -334.375190
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -70.470
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -45.652
tors. eta vs tors. theta energy: -78.247
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1238.855277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.855277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.655277 (E_RNA)
where:
Base-Base interactions energy: -703.110
where: short stacking energy: -280.808
Base-Backbone interact. energy: 2.090
local terms energy: -323.634954
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -63.748
flat angles C4'-P-C4' energy: -75.004
flat angles P-C4'-P energy: -46.403
tors. eta vs tors. theta energy: -72.277
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1199.361531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.361531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.561531 (E_RNA)
where:
Base-Base interactions energy: -685.727
where: short stacking energy: -279.557
Base-Backbone interact. energy: 0.122
local terms energy: -313.956039
where:
bonds (distance) C4'-P energy: -56.418
bonds (distance) P-C4' energy: -70.673
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -52.216
tors. eta vs tors. theta energy: -73.132
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1106.854146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.854146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.254146 (E_RNA)
where:
Base-Base interactions energy: -636.904
where: short stacking energy: -238.081
Base-Backbone interact. energy: -3.821
local terms energy: -273.529231
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -52.038
Dist. restrs. and SS energy: -192.600 (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: 326
Temperature: 1.300000
Total energy: -1121.380978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.380978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.980978 (E_RNA)
where:
Base-Base interactions energy: -631.395
where: short stacking energy: -243.931
Base-Backbone interact. energy: -4.112
local terms energy: -282.474236
where:
bonds (distance) C4'-P energy: -52.354
bonds (distance) P-C4' energy: -71.057
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -57.576
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -928.669088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.669088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.469088 (E_RNA)
where:
Base-Base interactions energy: -514.610
where: short stacking energy: -215.143
Base-Backbone interact. energy: 3.715
local terms energy: -257.573495
where:
bonds (distance) C4'-P energy: -64.941
bonds (distance) P-C4' energy: -73.447
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -38.979
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1444.113554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.113554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.313554 (E_RNA)
where:
Base-Base interactions energy: -889.426
where: short stacking energy: -357.157
Base-Backbone interact. energy: 1.796
local terms energy: -356.684220
where:
bonds (distance) C4'-P energy: -69.242
bonds (distance) P-C4' energy: -69.336
flat angles C4'-P-C4' energy: -69.023
flat angles P-C4'-P energy: -53.883
tors. eta vs tors. theta energy: -95.201
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1456.408145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.408145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.608145 (E_RNA)
where:
Base-Base interactions energy: -882.080
where: short stacking energy: -346.219
Base-Backbone interact. energy: -2.289
local terms energy: -363.239448
where:
bonds (distance) C4'-P energy: -66.129
bonds (distance) P-C4' energy: -74.330
flat angles C4'-P-C4' energy: -84.474
flat angles P-C4'-P energy: -46.768
tors. eta vs tors. theta energy: -91.538
Dist. restrs. and SS energy: -208.800 (S_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: 327
Temperature: 1.000000
Total energy: -1380.553974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.553974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.353974 (E_RNA)
where:
Base-Base interactions energy: -803.075
where: short stacking energy: -314.158
Base-Backbone interact. energy: 1.033
local terms energy: -364.312282
where:
bonds (distance) C4'-P energy: -70.086
bonds (distance) P-C4' energy: -69.510
flat angles C4'-P-C4' energy: -82.894
flat angles P-C4'-P energy: -55.633
tors. eta vs tors. theta energy: -86.190
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1341.609571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.609571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.809571 (E_RNA)
where:
Base-Base interactions energy: -788.193
where: short stacking energy: -328.179
Base-Backbone interact. energy: -2.495
local terms energy: -351.121652
where:
bonds (distance) C4'-P energy: -68.810
bonds (distance) P-C4' energy: -65.330
flat angles C4'-P-C4' energy: -77.096
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -95.483
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1280.474195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.474195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.674195 (E_RNA)
where:
Base-Base interactions energy: -731.536
where: short stacking energy: -290.318
Base-Backbone interact. energy: -2.162
local terms energy: -328.976011
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -76.637
flat angles C4'-P-C4' energy: -65.121
flat angles P-C4'-P energy: -53.181
tors. eta vs tors. theta energy: -70.273
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1224.671279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.671279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.071279 (E_RNA)
where:
Base-Base interactions energy: -700.247
where: short stacking energy: -289.357
Base-Backbone interact. energy: -1.641
local terms energy: -312.183725
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -66.957
flat angles P-C4'-P energy: -55.825
tors. eta vs tors. theta energy: -61.562
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1202.910514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.910514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.310514 (E_RNA)
where:
Base-Base interactions energy: -694.209
where: short stacking energy: -278.200
Base-Backbone interact. energy: -1.690
local terms energy: -305.411895
where:
bonds (distance) C4'-P energy: -57.121
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -73.582
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -64.530
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1141.425266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.425266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.825266 (E_RNA)
where:
Base-Base interactions energy: -655.269
where: short stacking energy: -273.908
Base-Backbone interact. energy: 7.376
local terms energy: -291.932459
where:
bonds (distance) C4'-P energy: -66.344
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -40.357
tors. eta vs tors. theta energy: -72.271
Dist. restrs. and SS energy: -201.600 (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: 327
Temperature: 1.300000
Total energy: -1122.381183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.381183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.781183 (E_RNA)
where:
Base-Base interactions energy: -640.905
where: short stacking energy: -242.047
Base-Backbone interact. energy: 1.433
local terms energy: -281.308737
where:
bonds (distance) C4'-P energy: -64.133
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -59.220
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -60.002
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -911.539354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.539354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.539354 (E_RNA)
where:
Base-Base interactions energy: -491.234
where: short stacking energy: -229.935
Base-Backbone interact. energy: 1.662
local terms energy: -277.967438
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -70.911
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -50.287
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1471.895946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.895946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.495946 (E_RNA)
where:
Base-Base interactions energy: -877.910
where: short stacking energy: -350.238
Base-Backbone interact. energy: -0.931
local terms energy: -389.654166
where:
bonds (distance) C4'-P energy: -81.497
bonds (distance) P-C4' energy: -75.805
flat angles C4'-P-C4' energy: -79.064
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -96.062
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1453.958967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.958967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.758967 (E_RNA)
where:
Base-Base interactions energy: -867.585
where: short stacking energy: -348.989
Base-Backbone interact. energy: -2.730
local terms energy: -378.443295
where:
bonds (distance) C4'-P energy: -77.342
bonds (distance) P-C4' energy: -83.370
flat angles C4'-P-C4' energy: -78.846
flat angles P-C4'-P energy: -47.071
tors. eta vs tors. theta energy: -91.814
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1375.271750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.271750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.871750 (E_RNA)
where:
Base-Base interactions energy: -805.768
where: short stacking energy: -325.785
Base-Backbone interact. energy: -0.419
local terms energy: -356.684993
where:
bonds (distance) C4'-P energy: -72.593
bonds (distance) P-C4' energy: -63.124
flat angles C4'-P-C4' energy: -85.687
flat angles P-C4'-P energy: -57.319
tors. eta vs tors. theta energy: -77.963
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1336.129340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.129340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.729340 (E_RNA)
where:
Base-Base interactions energy: -784.547
where: short stacking energy: -324.279
Base-Backbone interact. energy: -2.549
local terms energy: -354.632858
where:
bonds (distance) C4'-P energy: -63.252
bonds (distance) P-C4' energy: -71.502
flat angles C4'-P-C4' energy: -75.786
flat angles P-C4'-P energy: -56.143
tors. eta vs tors. theta energy: -87.951
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -1293.365639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.365639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.765639 (E_RNA)
where:
Base-Base interactions energy: -738.985
where: short stacking energy: -312.732
Base-Backbone interact. energy: -0.172
local terms energy: -343.608631
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -74.595
flat angles C4'-P-C4' energy: -72.522
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -84.820
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1244.732070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.732070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.732070 (E_RNA)
where:
Base-Base interactions energy: -707.406
where: short stacking energy: -278.330
Base-Backbone interact. energy: -1.447
local terms energy: -319.879292
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -75.188
flat angles P-C4'-P energy: -49.554
tors. eta vs tors. theta energy: -63.975
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1168.914989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.914989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.114989 (E_RNA)
where:
Base-Base interactions energy: -668.686
where: short stacking energy: -260.688
Base-Backbone interact. energy: -1.772
local terms energy: -307.656454
where:
bonds (distance) C4'-P energy: -61.365
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -73.798
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -59.649
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1164.846000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.846000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.846000 (E_RNA)
where:
Base-Base interactions energy: -658.479
where: short stacking energy: -256.386
Base-Backbone interact. energy: -4.389
local terms energy: -303.978061
where:
bonds (distance) C4'-P energy: -54.644
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -44.737
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1117.497722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.497722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.897722 (E_RNA)
where:
Base-Base interactions energy: -665.920
where: short stacking energy: -258.008
Base-Backbone interact. energy: -1.471
local terms energy: -248.506487
where:
bonds (distance) C4'-P energy: -60.252
bonds (distance) P-C4' energy: -44.259
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -28.676
tors. eta vs tors. theta energy: -51.062
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -854.893711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.893711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.293711 (E_RNA)
where:
Base-Base interactions energy: -477.227
where: short stacking energy: -190.417
Base-Backbone interact. energy: -0.204
local terms energy: -229.863400
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -54.034
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1466.009275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.009275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.609275 (E_RNA)
where:
Base-Base interactions energy: -876.008
where: short stacking energy: -361.681
Base-Backbone interact. energy: -1.650
local terms energy: -384.950454
where:
bonds (distance) C4'-P energy: -71.359
bonds (distance) P-C4' energy: -74.108
flat angles C4'-P-C4' energy: -82.216
flat angles P-C4'-P energy: -57.535
tors. eta vs tors. theta energy: -99.731
Dist. restrs. and SS energy: -203.400 (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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1432.038696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.038696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.638696 (E_RNA)
where:
Base-Base interactions energy: -866.438
where: short stacking energy: -351.917
Base-Backbone interact. energy: -2.574
local terms energy: -359.627370
where:
bonds (distance) C4'-P energy: -71.270
bonds (distance) P-C4' energy: -71.562
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -42.247
tors. eta vs tors. theta energy: -94.484
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1391.218906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.218906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.418906 (E_RNA)
where:
Base-Base interactions energy: -819.379
where: short stacking energy: -337.523
Base-Backbone interact. energy: -0.375
local terms energy: -362.664025
where:
bonds (distance) C4'-P energy: -74.591
bonds (distance) P-C4' energy: -70.795
flat angles C4'-P-C4' energy: -81.818
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -86.643
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1334.842432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.842432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.642432 (E_RNA)
where:
Base-Base interactions energy: -785.679
where: short stacking energy: -317.860
Base-Backbone interact. energy: -2.773
local terms energy: -332.190427
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -74.015
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -79.848
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1321.336113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.336113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.936113 (E_RNA)
where:
Base-Base interactions energy: -770.608
where: short stacking energy: -312.946
Base-Backbone interact. energy: -3.194
local terms energy: -344.133763
where:
bonds (distance) C4'-P energy: -71.472
bonds (distance) P-C4' energy: -71.035
flat angles C4'-P-C4' energy: -69.108
flat angles P-C4'-P energy: -47.541
tors. eta vs tors. theta energy: -84.977
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1224.825912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.825912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.825912 (E_RNA)
where:
Base-Base interactions energy: -700.286
where: short stacking energy: -278.597
Base-Backbone interact. energy: -2.456
local terms energy: -315.083502
where:
bonds (distance) C4'-P energy: -74.775
bonds (distance) P-C4' energy: -57.880
flat angles C4'-P-C4' energy: -70.420
flat angles P-C4'-P energy: -50.472
tors. eta vs tors. theta energy: -61.536
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1177.632127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.632127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.032127 (E_RNA)
where:
Base-Base interactions energy: -685.888
where: short stacking energy: -271.398
Base-Backbone interact. energy: 1.865
local terms energy: -292.009746
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -68.682
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -65.178
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1165.251891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.251891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.251891 (E_RNA)
where:
Base-Base interactions energy: -673.241
where: short stacking energy: -266.205
Base-Backbone interact. energy: -2.163
local terms energy: -291.847435
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -58.436
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -63.351
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1108.382802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.382802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.182802 (E_RNA)
where:
Base-Base interactions energy: -639.493
where: short stacking energy: -254.521
Base-Backbone interact. energy: 0.715
local terms energy: -264.404913
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -51.932
flat angles C4'-P-C4' energy: -52.051
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -65.625
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -874.024283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.024283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.024283 (E_RNA)
where:
Base-Base interactions energy: -484.889
where: short stacking energy: -191.262
Base-Backbone interact. energy: 1.848
local terms energy: -237.983444
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1463.116458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.116458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.316458 (E_RNA)
where:
Base-Base interactions energy: -863.489
where: short stacking energy: -365.244
Base-Backbone interact. energy: -0.647
local terms energy: -399.180055
where:
bonds (distance) C4'-P energy: -73.260
bonds (distance) P-C4' energy: -84.006
flat angles C4'-P-C4' energy: -87.185
flat angles P-C4'-P energy: -55.119
tors. eta vs tors. theta energy: -99.610
Dist. restrs. and SS energy: -199.800 (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: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1433.926438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.926438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.126438 (E_RNA)
where:
Base-Base interactions energy: -857.023
where: short stacking energy: -355.742
Base-Backbone interact. energy: -2.392
local terms energy: -365.711648
where:
bonds (distance) C4'-P energy: -55.005
bonds (distance) P-C4' energy: -73.264
flat angles C4'-P-C4' energy: -86.511
flat angles P-C4'-P energy: -55.202
tors. eta vs tors. theta energy: -95.730
Dist. restrs. and SS energy: -208.800 (S_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: 330
Temperature: 1.000000
Total energy: -1398.822765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.822765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.222765 (E_RNA)
where:
Base-Base interactions energy: -829.514
where: short stacking energy: -338.859
Base-Backbone interact. energy: 2.541
local terms energy: -361.250019
where:
bonds (distance) C4'-P energy: -62.805
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -88.008
flat angles P-C4'-P energy: -52.458
tors. eta vs tors. theta energy: -88.517
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1335.605043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.605043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.805043 (E_RNA)
where:
Base-Base interactions energy: -782.265
where: short stacking energy: -321.464
Base-Backbone interact. energy: -0.637
local terms energy: -334.902434
where:
bonds (distance) C4'-P energy: -60.582
bonds (distance) P-C4' energy: -67.389
flat angles C4'-P-C4' energy: -80.499
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -74.760
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1346.515031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.515031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.915031 (E_RNA)
where:
Base-Base interactions energy: -786.801
where: short stacking energy: -306.651
Base-Backbone interact. energy: 1.958
local terms energy: -360.072131
where:
bonds (distance) C4'-P energy: -75.155
bonds (distance) P-C4' energy: -72.833
flat angles C4'-P-C4' energy: -78.812
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -78.064
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1224.261128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.261128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.861128 (E_RNA)
where:
Base-Base interactions energy: -707.779
where: short stacking energy: -285.134
Base-Backbone interact. energy: 1.981
local terms energy: -306.062598
where:
bonds (distance) C4'-P energy: -63.164
bonds (distance) P-C4' energy: -55.598
flat angles C4'-P-C4' energy: -79.282
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -71.052
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1177.394920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.394920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.194920 (E_RNA)
where:
Base-Base interactions energy: -671.326
where: short stacking energy: -275.962
Base-Backbone interact. energy: -0.727
local terms energy: -309.141878
where:
bonds (distance) C4'-P energy: -64.396
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -76.883
flat angles P-C4'-P energy: -42.099
tors. eta vs tors. theta energy: -69.352
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1161.499261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.499261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.899261 (E_RNA)
where:
Base-Base interactions energy: -666.847
where: short stacking energy: -274.278
Base-Backbone interact. energy: -1.593
local terms energy: -291.459269
where:
bonds (distance) C4'-P energy: -58.071
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -66.405
Dist. restrs. and SS energy: -201.600 (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: 330
Temperature: 1.300000
Total energy: -1142.297443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.297443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.297443 (E_RNA)
where:
Base-Base interactions energy: -655.888
where: short stacking energy: -262.511
Base-Backbone interact. energy: -0.776
local terms energy: -278.633129
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -57.592
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -860.377911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.377911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.377911 (E_RNA)
where:
Base-Base interactions energy: -471.818
where: short stacking energy: -196.967
Base-Backbone interact. energy: 0.992
local terms energy: -245.552589
where:
bonds (distance) C4'-P energy: -60.221
bonds (distance) P-C4' energy: -72.983
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -28.301
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1452.925579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.925579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.325579 (E_RNA)
where:
Base-Base interactions energy: -879.141
where: short stacking energy: -375.362
Base-Backbone interact. energy: 0.106
local terms energy: -372.290684
where:
bonds (distance) C4'-P energy: -67.075
bonds (distance) P-C4' energy: -62.725
flat angles C4'-P-C4' energy: -85.593
flat angles P-C4'-P energy: -57.068
tors. eta vs tors. theta energy: -99.830
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1463.521594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.521594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.121594 (E_RNA)
where:
Base-Base interactions energy: -867.737
where: short stacking energy: -340.748
Base-Backbone interact. energy: -2.644
local terms energy: -380.740907
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -75.146
flat angles P-C4'-P energy: -57.549
tors. eta vs tors. theta energy: -92.480
Dist. restrs. and SS energy: -212.400 (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: 331
Temperature: 1.000000
Total energy: -1404.867062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.867062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.667062 (E_RNA)
where:
Base-Base interactions energy: -837.644
where: short stacking energy: -334.259
Base-Backbone interact. energy: -3.108
local terms energy: -358.915145
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -70.493
flat angles C4'-P-C4' energy: -85.110
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -92.080
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1334.970558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.970558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.970558 (E_RNA)
where:
Base-Base interactions energy: -779.416
where: short stacking energy: -314.251
Base-Backbone interact. energy: -3.352
local terms energy: -336.202819
where:
bonds (distance) C4'-P energy: -66.699
bonds (distance) P-C4' energy: -66.012
flat angles C4'-P-C4' energy: -76.486
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -83.273
Dist. restrs. and SS energy: -216.000 (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: 331
Temperature: 1.100000
Total energy: -1321.034570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.034570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.834570 (E_RNA)
where:
Base-Base interactions energy: -780.830
where: short stacking energy: -316.207
Base-Backbone interact. energy: -1.571
local terms energy: -333.433382
where:
bonds (distance) C4'-P energy: -65.338
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -74.082
flat angles P-C4'-P energy: -46.045
tors. eta vs tors. theta energy: -87.050
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1206.079710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.079710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.079710 (E_RNA)
where:
Base-Base interactions energy: -675.316
where: short stacking energy: -277.613
Base-Backbone interact. energy: -3.101
local terms energy: -311.661969
where:
bonds (distance) C4'-P energy: -66.675
bonds (distance) P-C4' energy: -73.296
flat angles C4'-P-C4' energy: -67.351
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1216.699714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.699714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.499714 (E_RNA)
where:
Base-Base interactions energy: -700.980
where: short stacking energy: -303.445
Base-Backbone interact. energy: 0.375
local terms energy: -319.894718
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -63.895
flat angles C4'-P-C4' energy: -69.827
flat angles P-C4'-P energy: -49.858
tors. eta vs tors. theta energy: -76.537
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1144.183858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.183858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.183858 (E_RNA)
where:
Base-Base interactions energy: -653.291
where: short stacking energy: -259.391
Base-Backbone interact. energy: -0.525
local terms energy: -292.368168
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -63.647
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1152.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.648008 (E_RNA)
where:
Base-Base interactions energy: -666.227
where: short stacking energy: -254.862
Base-Backbone interact. energy: -2.356
local terms energy: -275.064886
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -59.553
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -869.717151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.717151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.517151 (E_RNA)
where:
Base-Base interactions energy: -488.744
where: short stacking energy: -197.413
Base-Backbone interact. energy: -0.290
local terms energy: -238.483554
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1455.059049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.059049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.659049 (E_RNA)
where:
Base-Base interactions energy: -865.615
where: short stacking energy: -356.812
Base-Backbone interact. energy: -2.282
local terms energy: -383.762416
where:
bonds (distance) C4'-P energy: -63.382
bonds (distance) P-C4' energy: -83.931
flat angles C4'-P-C4' energy: -79.561
flat angles P-C4'-P energy: -60.698
tors. eta vs tors. theta energy: -96.190
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1442.943527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.943527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.343527 (E_RNA)
where:
Base-Base interactions energy: -853.713
where: short stacking energy: -338.912
Base-Backbone interact. energy: -2.214
local terms energy: -376.415666
where:
bonds (distance) C4'-P energy: -77.272
bonds (distance) P-C4' energy: -75.548
flat angles C4'-P-C4' energy: -81.257
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -86.145
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1410.129956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.129956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.129956 (E_RNA)
where:
Base-Base interactions energy: -831.039
where: short stacking energy: -341.069
Base-Backbone interact. energy: -0.154
local terms energy: -371.936320
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -78.660
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -97.982
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1356.779977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.779977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.779977 (E_RNA)
where:
Base-Base interactions energy: -803.803
where: short stacking energy: -325.534
Base-Backbone interact. energy: -2.367
local terms energy: -334.610525
where:
bonds (distance) C4'-P energy: -61.786
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -44.831
tors. eta vs tors. theta energy: -88.996
Dist. restrs. and SS energy: -216.000 (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: 332
Temperature: 1.100000
Total energy: -1320.725679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.725679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.125679 (E_RNA)
where:
Base-Base interactions energy: -774.996
where: short stacking energy: -317.458
Base-Backbone interact. energy: -0.119
local terms energy: -344.010826
where:
bonds (distance) C4'-P energy: -61.903
bonds (distance) P-C4' energy: -76.126
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -50.009
tors. eta vs tors. theta energy: -80.917
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1245.759980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.759980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.959980 (E_RNA)
where:
Base-Base interactions energy: -730.993
where: short stacking energy: -282.148
Base-Backbone interact. energy: -0.225
local terms energy: -305.742111
where:
bonds (distance) C4'-P energy: -64.458
bonds (distance) P-C4' energy: -71.857
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -33.252
tors. eta vs tors. theta energy: -70.383
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1195.111004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.111004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.111004 (E_RNA)
where:
Base-Base interactions energy: -689.007
where: short stacking energy: -276.558
Base-Backbone interact. energy: -2.849
local terms energy: -305.254210
where:
bonds (distance) C4'-P energy: -63.591
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -70.722
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1125.779594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.779594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.579594 (E_RNA)
where:
Base-Base interactions energy: -635.991
where: short stacking energy: -251.559
Base-Backbone interact. energy: -0.175
local terms energy: -293.414013
where:
bonds (distance) C4'-P energy: -72.663
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1095.138472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.138472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.938472 (E_RNA)
where:
Base-Base interactions energy: -606.651
where: short stacking energy: -229.434
Base-Backbone interact. energy: -1.097
local terms energy: -282.190402
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -53.460
flat angles C4'-P-C4' energy: -74.990
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -57.932
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -849.788813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.788813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.388813 (E_RNA)
where:
Base-Base interactions energy: -465.910
where: short stacking energy: -187.801
Base-Backbone interact. energy: -0.927
local terms energy: -233.551358
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -55.556
flat angles C4'-P-C4' energy: -64.953
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1434.332119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.332119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.332119 (E_RNA)
where:
Base-Base interactions energy: -846.161
where: short stacking energy: -353.113
Base-Backbone interact. energy: -3.389
local terms energy: -377.781384
where:
bonds (distance) C4'-P energy: -72.442
bonds (distance) P-C4' energy: -74.013
flat angles C4'-P-C4' energy: -82.071
flat angles P-C4'-P energy: -53.618
tors. eta vs tors. theta energy: -95.638
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1426.670817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.670817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.470817 (E_RNA)
where:
Base-Base interactions energy: -844.250
where: short stacking energy: -351.609
Base-Backbone interact. energy: -3.741
local terms energy: -373.479728
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -64.207
flat angles C4'-P-C4' energy: -84.370
flat angles P-C4'-P energy: -53.609
tors. eta vs tors. theta energy: -102.481
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1401.202405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.202405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.402405 (E_RNA)
where:
Base-Base interactions energy: -831.395
where: short stacking energy: -347.951
Base-Backbone interact. energy: -1.963
local terms energy: -359.044447
where:
bonds (distance) C4'-P energy: -72.137
bonds (distance) P-C4' energy: -61.325
flat angles C4'-P-C4' energy: -83.943
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -89.302
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1350.040002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.040002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.240002 (E_RNA)
where:
Base-Base interactions energy: -790.178
where: short stacking energy: -318.819
Base-Backbone interact. energy: -1.189
local terms energy: -349.872435
where:
bonds (distance) C4'-P energy: -62.364
bonds (distance) P-C4' energy: -69.462
flat angles C4'-P-C4' energy: -83.330
flat angles P-C4'-P energy: -53.762
tors. eta vs tors. theta energy: -80.954
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1306.736544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.736544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.936544 (E_RNA)
where:
Base-Base interactions energy: -765.931
where: short stacking energy: -297.336
Base-Backbone interact. energy: 1.742
local terms energy: -333.747785
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -71.127
flat angles C4'-P-C4' energy: -69.175
flat angles P-C4'-P energy: -44.712
tors. eta vs tors. theta energy: -76.653
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1233.693794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.693794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.893794 (E_RNA)
where:
Base-Base interactions energy: -708.731
where: short stacking energy: -291.137
Base-Backbone interact. energy: -1.122
local terms energy: -306.041300
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -77.287
flat angles P-C4'-P energy: -48.514
tors. eta vs tors. theta energy: -66.954
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1207.558804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.558804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.358804 (E_RNA)
where:
Base-Base interactions energy: -725.493
where: short stacking energy: -282.739
Base-Backbone interact. energy: 3.209
local terms energy: -289.075489
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -57.625
flat angles C4'-P-C4' energy: -73.007
flat angles P-C4'-P energy: -37.074
tors. eta vs tors. theta energy: -71.168
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1162.387024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.387024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.187024 (E_RNA)
where:
Base-Base interactions energy: -681.807
where: short stacking energy: -280.569
Base-Backbone interact. energy: -1.954
local terms energy: -282.425887
where:
bonds (distance) C4'-P energy: -70.195
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -59.243
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -71.054
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1111.340681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.340681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.940681 (E_RNA)
where:
Base-Base interactions energy: -626.144
where: short stacking energy: -244.920
Base-Backbone interact. energy: -1.781
local terms energy: -280.016010
where:
bonds (distance) C4'-P energy: -49.499
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -68.746
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -59.997
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -887.332004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.332004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.732004 (E_RNA)
where:
Base-Base interactions energy: -481.866
where: short stacking energy: -182.595
Base-Backbone interact. energy: -1.296
local terms energy: -256.569983
where:
bonds (distance) C4'-P energy: -67.777
bonds (distance) P-C4' energy: -77.662
flat angles C4'-P-C4' energy: -61.236
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1441.477069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.477069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.277069 (E_RNA)
where:
Base-Base interactions energy: -862.453
where: short stacking energy: -357.066
Base-Backbone interact. energy: 6.350
local terms energy: -380.173785
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -75.164
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -60.791
tors. eta vs tors. theta energy: -99.950
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1404.095160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.095160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.895160 (E_RNA)
where:
Base-Base interactions energy: -836.669
where: short stacking energy: -326.185
Base-Backbone interact. energy: 0.840
local terms energy: -363.066496
where:
bonds (distance) C4'-P energy: -72.165
bonds (distance) P-C4' energy: -76.681
flat angles C4'-P-C4' energy: -81.686
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -85.575
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1408.528734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.528734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.128734 (E_RNA)
where:
Base-Base interactions energy: -854.352
where: short stacking energy: -322.029
Base-Backbone interact. energy: 0.000
local terms energy: -341.777105
where:
bonds (distance) C4'-P energy: -61.208
bonds (distance) P-C4' energy: -77.424
flat angles C4'-P-C4' energy: -79.418
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -86.096
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1372.002525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.002525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.402525 (E_RNA)
where:
Base-Base interactions energy: -818.463
where: short stacking energy: -320.917
Base-Backbone interact. energy: -0.102
local terms energy: -351.838216
where:
bonds (distance) C4'-P energy: -69.531
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -88.538
flat angles P-C4'-P energy: -53.719
tors. eta vs tors. theta energy: -81.345
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1270.598227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.598227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.598227 (E_RNA)
where:
Base-Base interactions energy: -743.307
where: short stacking energy: -316.123
Base-Backbone interact. energy: -0.889
local terms energy: -310.402495
where:
bonds (distance) C4'-P energy: -65.603
bonds (distance) P-C4' energy: -66.297
flat angles C4'-P-C4' energy: -72.342
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: -62.209
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1256.664346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.664346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.264346 (E_RNA)
where:
Base-Base interactions energy: -712.661
where: short stacking energy: -297.482
Base-Backbone interact. energy: -0.943
local terms energy: -330.660242
where:
bonds (distance) C4'-P energy: -60.748
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -74.879
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1244.205702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.205702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.205702 (E_RNA)
where:
Base-Base interactions energy: -740.277
where: short stacking energy: -303.726
Base-Backbone interact. energy: 0.253
local terms energy: -306.181127
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -61.349
flat angles C4'-P-C4' energy: -65.974
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -72.173
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1134.513781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.513781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.913781 (E_RNA)
where:
Base-Base interactions energy: -667.688
where: short stacking energy: -250.136
Base-Backbone interact. energy: -2.140
local terms energy: -272.085983
where:
bonds (distance) C4'-P energy: -61.633
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -66.702
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -52.498
Dist. restrs. and SS energy: -192.600 (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: 334
Temperature: 1.300000
Total energy: -1110.636221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.636221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.436221 (E_RNA)
where:
Base-Base interactions energy: -635.482
where: short stacking energy: -245.965
Base-Backbone interact. energy: -1.436
local terms energy: -268.517681
where:
bonds (distance) C4'-P energy: -66.639
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -66.774
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -43.508
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -871.256917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.256917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.056917 (E_RNA)
where:
Base-Base interactions energy: -481.264
where: short stacking energy: -192.376
Base-Backbone interact. energy: 5.500
local terms energy: -253.293214
where:
bonds (distance) C4'-P energy: -62.594
bonds (distance) P-C4' energy: -67.956
flat angles C4'-P-C4' energy: -61.775
flat angles P-C4'-P energy: -16.982
tors. eta vs tors. theta energy: -43.986
Dist. restrs. and SS energy: -142.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1466.328174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.328174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.928174 (E_RNA)
where:
Base-Base interactions energy: -882.047
where: short stacking energy: -358.716
Base-Backbone interact. energy: -0.720
local terms energy: -380.160579
where:
bonds (distance) C4'-P energy: -67.988
bonds (distance) P-C4' energy: -65.066
flat angles C4'-P-C4' energy: -85.633
flat angles P-C4'-P energy: -60.867
tors. eta vs tors. theta energy: -100.605
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1431.875222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.875222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.475222 (E_RNA)
where:
Base-Base interactions energy: -851.059
where: short stacking energy: -322.273
Base-Backbone interact. energy: -3.591
local terms energy: -364.824996
where:
bonds (distance) C4'-P energy: -75.218
bonds (distance) P-C4' energy: -61.386
flat angles C4'-P-C4' energy: -80.719
flat angles P-C4'-P energy: -62.744
tors. eta vs tors. theta energy: -84.758
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1410.084270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.084270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.084270 (E_RNA)
where:
Base-Base interactions energy: -843.985
where: short stacking energy: -355.863
Base-Backbone interact. energy: 3.313
local terms energy: -362.411550
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -81.612
flat angles P-C4'-P energy: -55.147
tors. eta vs tors. theta energy: -88.560
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1368.340328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.340328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.140328 (E_RNA)
where:
Base-Base interactions energy: -809.612
where: short stacking energy: -320.569
Base-Backbone interact. energy: 0.201
local terms energy: -353.729481
where:
bonds (distance) C4'-P energy: -53.142
bonds (distance) P-C4' energy: -76.279
flat angles C4'-P-C4' energy: -83.371
flat angles P-C4'-P energy: -55.912
tors. eta vs tors. theta energy: -85.026
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1261.319192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.319192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.119192 (E_RNA)
where:
Base-Base interactions energy: -732.514
where: short stacking energy: -289.848
Base-Backbone interact. energy: 2.937
local terms energy: -317.542684
where:
bonds (distance) C4'-P energy: -65.134
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -74.766
flat angles P-C4'-P energy: -39.883
tors. eta vs tors. theta energy: -73.980
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. 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: -1235.849903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.849903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.049903 (E_RNA)
where:
Base-Base interactions energy: -713.095
where: short stacking energy: -287.971
Base-Backbone interact. energy: 0.204
local terms energy: -314.158780
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -66.223
flat angles P-C4'-P energy: -47.818
tors. eta vs tors. theta energy: -74.727
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1194.562043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.562043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.562043 (E_RNA)
where:
Base-Base interactions energy: -705.500
where: short stacking energy: -273.889
Base-Backbone interact. energy: -0.011
local terms energy: -291.051220
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -68.883
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -60.327
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1131.229845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.229845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.829845 (E_RNA)
where:
Base-Base interactions energy: -661.793
where: short stacking energy: -258.482
Base-Backbone interact. energy: 3.843
local terms energy: -278.879896
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -32.867
tors. eta vs tors. theta energy: -57.580
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1091.300866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.300866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.900866 (E_RNA)
where:
Base-Base interactions energy: -599.519
where: short stacking energy: -230.508
Base-Backbone interact. energy: -1.226
local terms energy: -296.156096
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -69.849
flat angles C4'-P-C4' energy: -62.220
flat angles P-C4'-P energy: -49.950
tors. eta vs tors. theta energy: -52.065
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -865.480635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.480635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.880635 (E_RNA)
where:
Base-Base interactions energy: -482.987
where: short stacking energy: -196.588
Base-Backbone interact. energy: 2.513
local terms energy: -237.407236
where:
bonds (distance) C4'-P energy: -49.105
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -40.860
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1453.755803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.755803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.755803 (E_RNA)
where:
Base-Base interactions energy: -853.076
where: short stacking energy: -357.065
Base-Backbone interact. energy: -1.689
local terms energy: -391.990972
where:
bonds (distance) C4'-P energy: -77.829
bonds (distance) P-C4' energy: -83.593
flat angles C4'-P-C4' energy: -83.631
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -99.229
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1441.451038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.451038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.251038 (E_RNA)
where:
Base-Base interactions energy: -865.934
where: short stacking energy: -331.936
Base-Backbone interact. energy: -3.557
local terms energy: -357.760445
where:
bonds (distance) C4'-P energy: -64.532
bonds (distance) P-C4' energy: -68.459
flat angles C4'-P-C4' energy: -79.633
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -88.282
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1397.856664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.856664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.456664 (E_RNA)
where:
Base-Base interactions energy: -837.678
where: short stacking energy: -347.524
Base-Backbone interact. energy: -1.400
local terms energy: -355.378386
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -78.536
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -90.843
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1362.880490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.880490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.280490 (E_RNA)
where:
Base-Base interactions energy: -820.220
where: short stacking energy: -333.660
Base-Backbone interact. energy: -4.104
local terms energy: -336.956361
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -66.454
flat angles C4'-P-C4' energy: -79.862
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -89.204
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1251.792063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.792063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.792063 (E_RNA)
where:
Base-Base interactions energy: -715.838
where: short stacking energy: -265.440
Base-Backbone interact. energy: 1.106
local terms energy: -321.060223
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -65.698
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: -68.463
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1238.432313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.432313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.632313 (E_RNA)
where:
Base-Base interactions energy: -704.857
where: short stacking energy: -299.672
Base-Backbone interact. energy: -0.402
local terms energy: -315.373759
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -68.348
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -79.024
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1198.998506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.398506 (E_RNA)
where:
Base-Base interactions energy: -710.966
where: short stacking energy: -283.191
Base-Backbone interact. energy: -2.451
local terms energy: -283.981229
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -72.640
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -45.535
tors. eta vs tors. theta energy: -55.265
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1126.691608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.691608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.691608 (E_RNA)
where:
Base-Base interactions energy: -651.398
where: short stacking energy: -255.849
Base-Backbone interact. energy: -0.554
local terms energy: -276.739334
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -64.695
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -60.207
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1084.525735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.525735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.725735 (E_RNA)
where:
Base-Base interactions energy: -630.556
where: short stacking energy: -223.818
Base-Backbone interact. energy: 0.253
local terms energy: -254.422761
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -62.926
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -32.196
tors. eta vs tors. theta energy: -47.581
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -884.663073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.663073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.463073 (E_RNA)
where:
Base-Base interactions energy: -485.934
where: short stacking energy: -202.191
Base-Backbone interact. energy: 1.719
local terms energy: -249.247168
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -63.493
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1468.829522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.829522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.829522 (E_RNA)
where:
Base-Base interactions energy: -893.081
where: short stacking energy: -361.932
Base-Backbone interact. energy: -1.099
local terms energy: -367.648710
where:
bonds (distance) C4'-P energy: -65.071
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -53.625
tors. eta vs tors. theta energy: -103.489
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1429.936298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.936298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.336298 (E_RNA)
where:
Base-Base interactions energy: -866.336
where: short stacking energy: -333.179
Base-Backbone interact. energy: -4.482
local terms energy: -348.519076
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -77.859
flat angles C4'-P-C4' energy: -72.125
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -75.396
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1399.317409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.317409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.717409 (E_RNA)
where:
Base-Base interactions energy: -831.801
where: short stacking energy: -346.925
Base-Backbone interact. energy: 1.811
local terms energy: -367.727311
where:
bonds (distance) C4'-P energy: -58.449
bonds (distance) P-C4' energy: -73.539
flat angles C4'-P-C4' energy: -84.640
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -101.936
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1335.115795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.115795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.515795 (E_RNA)
where:
Base-Base interactions energy: -799.756
where: short stacking energy: -315.637
Base-Backbone interact. energy: -3.468
local terms energy: -321.292118
where:
bonds (distance) C4'-P energy: -59.085
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -65.440
flat angles P-C4'-P energy: -51.366
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1254.498700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.498700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.498700 (E_RNA)
where:
Base-Base interactions energy: -693.772
where: short stacking energy: -272.490
Base-Backbone interact. energy: 0.698
local terms energy: -345.425426
where:
bonds (distance) C4'-P energy: -70.099
bonds (distance) P-C4' energy: -83.288
flat angles C4'-P-C4' energy: -75.724
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -70.623
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1223.634124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.634124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.834124 (E_RNA)
where:
Base-Base interactions energy: -712.970
where: short stacking energy: -272.435
Base-Backbone interact. energy: 0.106
local terms energy: -301.970220
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -74.265
flat angles C4'-P-C4' energy: -61.723
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: -63.850
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1194.735481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.735481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.535481 (E_RNA)
where:
Base-Base interactions energy: -677.184
where: short stacking energy: -281.365
Base-Backbone interact. energy: -2.825
local terms energy: -318.526267
where:
bonds (distance) C4'-P energy: -71.368
bonds (distance) P-C4' energy: -61.037
flat angles C4'-P-C4' energy: -69.076
flat angles P-C4'-P energy: -46.420
tors. eta vs tors. theta energy: -70.626
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1137.210413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.210413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.210413 (E_RNA)
where:
Base-Base interactions energy: -656.852
where: short stacking energy: -260.110
Base-Backbone interact. energy: -2.314
local terms energy: -280.045214
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -65.358
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1115.519282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.519282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.319282 (E_RNA)
where:
Base-Base interactions energy: -640.851
where: short stacking energy: -246.180
Base-Backbone interact. energy: -1.575
local terms energy: -267.893412
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -34.585
tors. eta vs tors. theta energy: -59.116
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -856.600070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.600070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.200070 (E_RNA)
where:
Base-Base interactions energy: -464.451
where: short stacking energy: -185.742
Base-Backbone interact. energy: -2.258
local terms energy: -240.491077
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -57.568
flat angles C4'-P-C4' energy: -69.333
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -31.632
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1469.584313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.584313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.384313 (E_RNA)
where:
Base-Base interactions energy: -874.680
where: short stacking energy: -352.504
Base-Backbone interact. energy: -3.056
local terms energy: -386.648338
where:
bonds (distance) C4'-P energy: -70.390
bonds (distance) P-C4' energy: -73.270
flat angles C4'-P-C4' energy: -84.385
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -105.996
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1438.924444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.924444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.124444 (E_RNA)
where:
Base-Base interactions energy: -853.921
where: short stacking energy: -339.127
Base-Backbone interact. energy: 0.560
local terms energy: -367.763299
where:
bonds (distance) C4'-P energy: -73.274
bonds (distance) P-C4' energy: -71.056
flat angles C4'-P-C4' energy: -78.665
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -87.985
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1406.302297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.302297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.702297 (E_RNA)
where:
Base-Base interactions energy: -834.000
where: short stacking energy: -352.385
Base-Backbone interact. energy: 0.409
local terms energy: -371.111483
where:
bonds (distance) C4'-P energy: -64.544
bonds (distance) P-C4' energy: -79.568
flat angles C4'-P-C4' energy: -87.417
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -92.518
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1357.845210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.845210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.245210 (E_RNA)
where:
Base-Base interactions energy: -805.775
where: short stacking energy: -322.149
Base-Backbone interact. energy: -0.406
local terms energy: -341.063695
where:
bonds (distance) C4'-P energy: -71.294
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -75.446
flat angles P-C4'-P energy: -53.443
tors. eta vs tors. theta energy: -86.112
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1274.820626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.820626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.020626 (E_RNA)
where:
Base-Base interactions energy: -732.714
where: short stacking energy: -297.553
Base-Backbone interact. energy: -2.148
local terms energy: -322.158323
where:
bonds (distance) C4'-P energy: -68.325
bonds (distance) P-C4' energy: -70.381
flat angles C4'-P-C4' energy: -65.036
flat angles P-C4'-P energy: -43.128
tors. eta vs tors. theta energy: -75.289
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1237.897533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.897533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.697533 (E_RNA)
where:
Base-Base interactions energy: -706.201
where: short stacking energy: -276.260
Base-Backbone interact. energy: -1.919
local terms energy: -315.577530
where:
bonds (distance) C4'-P energy: -69.165
bonds (distance) P-C4' energy: -66.556
flat angles C4'-P-C4' energy: -71.349
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -67.515
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1214.171825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.171825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.971825 (E_RNA)
where:
Base-Base interactions energy: -711.318
where: short stacking energy: -273.333
Base-Backbone interact. energy: -1.885
local terms energy: -304.768358
where:
bonds (distance) C4'-P energy: -58.099
bonds (distance) P-C4' energy: -70.379
flat angles C4'-P-C4' energy: -76.562
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -70.082
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1137.504359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.504359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.904359 (E_RNA)
where:
Base-Base interactions energy: -645.466
where: short stacking energy: -259.655
Base-Backbone interact. energy: -2.286
local terms energy: -297.152099
where:
bonds (distance) C4'-P energy: -65.233
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -61.653
Dist. restrs. and SS energy: -192.600 (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: 338
Temperature: 1.300000
Total energy: -1091.420097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.420097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.020097 (E_RNA)
where:
Base-Base interactions energy: -623.954
where: short stacking energy: -236.500
Base-Backbone interact. energy: -0.297
local terms energy: -263.769017
where:
bonds (distance) C4'-P energy: -57.094
bonds (distance) P-C4' energy: -64.067
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: -51.433
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -856.169643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.169643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.369643 (E_RNA)
where:
Base-Base interactions energy: -459.458
where: short stacking energy: -180.816
Base-Backbone interact. energy: 1.618
local terms energy: -252.529146
where:
bonds (distance) C4'-P energy: -65.200
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1435.570512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.570512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.570512 (E_RNA)
where:
Base-Base interactions energy: -843.446
where: short stacking energy: -343.826
Base-Backbone interact. energy: -0.697
local terms energy: -384.427904
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -76.807
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -99.648
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1421.811612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.811612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.411612 (E_RNA)
where:
Base-Base interactions energy: -856.443
where: short stacking energy: -331.003
Base-Backbone interact. energy: 0.917
local terms energy: -353.885087
where:
bonds (distance) C4'-P energy: -66.675
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -78.996
flat angles P-C4'-P energy: -57.420
tors. eta vs tors. theta energy: -84.059
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1388.808640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.808640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.408640 (E_RNA)
where:
Base-Base interactions energy: -837.586
where: short stacking energy: -330.296
Base-Backbone interact. energy: 0.252
local terms energy: -348.074602
where:
bonds (distance) C4'-P energy: -68.279
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -80.076
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -86.012
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1341.971533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.971533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.771533 (E_RNA)
where:
Base-Base interactions energy: -786.227
where: short stacking energy: -298.934
Base-Backbone interact. energy: 1.142
local terms energy: -342.686061
where:
bonds (distance) C4'-P energy: -60.940
bonds (distance) P-C4' energy: -76.170
flat angles C4'-P-C4' energy: -75.453
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: -75.995
Dist. restrs. and SS energy: -214.200 (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: 339
Temperature: 1.100000
Total energy: -1253.728057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.728057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.328057 (E_RNA)
where:
Base-Base interactions energy: -727.391
where: short stacking energy: -289.850
Base-Backbone interact. energy: -2.074
local terms energy: -311.863193
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -59.366
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -85.172
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1260.214600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.214600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.614600 (E_RNA)
where:
Base-Base interactions energy: -731.517
where: short stacking energy: -296.731
Base-Backbone interact. energy: -2.345
local terms energy: -315.753417
where:
bonds (distance) C4'-P energy: -67.727
bonds (distance) P-C4' energy: -59.435
flat angles C4'-P-C4' energy: -73.182
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -68.836
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1199.800155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.800155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.600155 (E_RNA)
where:
Base-Base interactions energy: -703.339
where: short stacking energy: -284.753
Base-Backbone interact. energy: -2.321
local terms energy: -297.940344
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -51.659
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -76.524
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1162.396569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.396569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.996569 (E_RNA)
where:
Base-Base interactions energy: -658.155
where: short stacking energy: -251.167
Base-Backbone interact. energy: -3.939
local terms energy: -305.902773
where:
bonds (distance) C4'-P energy: -68.230
bonds (distance) P-C4' energy: -73.643
flat angles C4'-P-C4' energy: -54.233
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -66.336
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1082.790084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.790084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.590084 (E_RNA)
where:
Base-Base interactions energy: -629.808
where: short stacking energy: -240.288
Base-Backbone interact. energy: -3.397
local terms energy: -253.384800
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -77.760
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -51.152
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -866.470926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.070926 (E_RNA)
where:
Base-Base interactions energy: -450.066
where: short stacking energy: -173.778
Base-Backbone interact. energy: 2.517
local terms energy: -269.522064
where:
bonds (distance) C4'-P energy: -71.258
bonds (distance) P-C4' energy: -60.252
flat angles C4'-P-C4' energy: -61.776
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -33.747
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1451.457909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.457909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.457909 (E_RNA)
where:
Base-Base interactions energy: -855.883
where: short stacking energy: -339.412
Base-Backbone interact. energy: -3.639
local terms energy: -375.936645
where:
bonds (distance) C4'-P energy: -79.677
bonds (distance) P-C4' energy: -75.453
flat angles C4'-P-C4' energy: -85.462
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: -87.413
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1414.831163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.831163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.631163 (E_RNA)
where:
Base-Base interactions energy: -827.531
where: short stacking energy: -354.334
Base-Backbone interact. energy: -0.885
local terms energy: -381.214812
where:
bonds (distance) C4'-P energy: -67.336
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -85.296
flat angles P-C4'-P energy: -51.497
tors. eta vs tors. theta energy: -105.179
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1414.405684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.405684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.205684 (E_RNA)
where:
Base-Base interactions energy: -831.264
where: short stacking energy: -340.627
Base-Backbone interact. energy: 2.121
local terms energy: -380.062750
where:
bonds (distance) C4'-P energy: -73.850
bonds (distance) P-C4' energy: -68.582
flat angles C4'-P-C4' energy: -86.330
flat angles P-C4'-P energy: -58.561
tors. eta vs tors. theta energy: -92.740
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1323.636981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.636981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.036981 (E_RNA)
where:
Base-Base interactions energy: -777.153
where: short stacking energy: -321.912
Base-Backbone interact. energy: -4.206
local terms energy: -331.677267
where:
bonds (distance) C4'-P energy: -63.911
bonds (distance) P-C4' energy: -63.031
flat angles C4'-P-C4' energy: -67.393
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: -82.080
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1269.460469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.460469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.260469 (E_RNA)
where:
Base-Base interactions energy: -726.039
where: short stacking energy: -280.363
Base-Backbone interact. energy: 0.610
local terms energy: -338.831209
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -69.542
flat angles C4'-P-C4' energy: -77.428
flat angles P-C4'-P energy: -55.687
tors. eta vs tors. theta energy: -76.630
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1249.660985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.660985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.660985 (E_RNA)
where:
Base-Base interactions energy: -698.556
where: short stacking energy: -299.816
Base-Backbone interact. energy: -1.882
local terms energy: -333.222614
where:
bonds (distance) C4'-P energy: -69.073
bonds (distance) P-C4' energy: -69.042
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -53.729
tors. eta vs tors. theta energy: -79.421
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1197.910849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.910849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.510849 (E_RNA)
where:
Base-Base interactions energy: -734.190
where: short stacking energy: -299.302
Base-Backbone interact. energy: 3.439
local terms energy: -272.759511
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -70.951
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -64.673
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1152.880604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.880604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.280604 (E_RNA)
where:
Base-Base interactions energy: -665.509
where: short stacking energy: -272.106
Base-Backbone interact. energy: -0.857
local terms energy: -284.913903
where:
bonds (distance) C4'-P energy: -52.938
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -72.944
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -65.719
Dist. restrs. and SS energy: -201.600 (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: 340
Temperature: 1.300000
Total energy: -1111.939641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.939641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.739641 (E_RNA)
where:
Base-Base interactions energy: -602.100
where: short stacking energy: -220.287
Base-Backbone interact. energy: -3.374
local terms energy: -301.265776
where:
bonds (distance) C4'-P energy: -59.462
bonds (distance) P-C4' energy: -64.067
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -65.490
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -888.730376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.730376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.930376 (E_RNA)
where:
Base-Base interactions energy: -480.201
where: short stacking energy: -186.118
Base-Backbone interact. energy: -1.180
local terms energy: -261.549508
where:
bonds (distance) C4'-P energy: -63.659
bonds (distance) P-C4' energy: -61.908
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -43.420
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1471.918027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.918027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.518027 (E_RNA)
where:
Base-Base interactions energy: -874.952
where: short stacking energy: -357.676
Base-Backbone interact. energy: -2.261
local terms energy: -382.304829
where:
bonds (distance) C4'-P energy: -66.384
bonds (distance) P-C4' energy: -76.049
flat angles C4'-P-C4' energy: -80.906
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -91.256
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1419.159458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.159458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.959458 (E_RNA)
where:
Base-Base interactions energy: -841.963
where: short stacking energy: -339.471
Base-Backbone interact. energy: -2.494
local terms energy: -369.502605
where:
bonds (distance) C4'-P energy: -76.826
bonds (distance) P-C4' energy: -65.757
flat angles C4'-P-C4' energy: -78.568
flat angles P-C4'-P energy: -52.632
tors. eta vs tors. theta energy: -95.719
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1400.277908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.277908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.877908 (E_RNA)
where:
Base-Base interactions energy: -836.782
where: short stacking energy: -336.865
Base-Backbone interact. energy: -4.443
local terms energy: -355.653207
where:
bonds (distance) C4'-P energy: -64.160
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -82.056
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -90.722
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1339.315509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.315509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.915509 (E_RNA)
where:
Base-Base interactions energy: -786.539
where: short stacking energy: -314.137
Base-Backbone interact. energy: -1.958
local terms energy: -338.418375
where:
bonds (distance) C4'-P energy: -74.507
bonds (distance) P-C4' energy: -66.186
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -44.773
tors. eta vs tors. theta energy: -79.251
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1287.018599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.618599 (E_RNA)
where:
Base-Base interactions energy: -753.281
where: short stacking energy: -290.754
Base-Backbone interact. energy: -3.567
local terms energy: -317.769785
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -69.302
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -69.149
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1251.594435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.594435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.394435 (E_RNA)
where:
Base-Base interactions energy: -730.932
where: short stacking energy: -308.056
Base-Backbone interact. energy: -0.086
local terms energy: -306.375954
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -60.177
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -49.708
tors. eta vs tors. theta energy: -72.537
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1202.143923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.143923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.343923 (E_RNA)
where:
Base-Base interactions energy: -697.463
where: short stacking energy: -283.493
Base-Backbone interact. energy: -1.491
local terms energy: -303.389877
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -65.742
flat angles C4'-P-C4' energy: -71.652
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -66.256
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1131.568294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.568294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.168294 (E_RNA)
where:
Base-Base interactions energy: -666.450
where: short stacking energy: -259.374
Base-Backbone interact. energy: -1.416
local terms energy: -251.301811
where:
bonds (distance) C4'-P energy: -50.858
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -53.827
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1144.524772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.524772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.724772 (E_RNA)
where:
Base-Base interactions energy: -643.323
where: short stacking energy: -242.120
Base-Backbone interact. energy: -4.440
local terms energy: -296.962118
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -73.697
flat angles C4'-P-C4' energy: -70.982
flat angles P-C4'-P energy: -41.982
tors. eta vs tors. theta energy: -62.946
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -848.986061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.986061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.386061 (E_RNA)
where:
Base-Base interactions energy: -460.592
where: short stacking energy: -186.779
Base-Backbone interact. energy: -2.065
local terms energy: -238.729199
where:
bonds (distance) C4'-P energy: -62.849
bonds (distance) P-C4' energy: -65.078
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1463.975213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.975213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.975213 (E_RNA)
where:
Base-Base interactions energy: -881.043
where: short stacking energy: -345.005
Base-Backbone interact. energy: 0.515
local terms energy: -376.447568
where:
bonds (distance) C4'-P energy: -70.303
bonds (distance) P-C4' energy: -71.586
flat angles C4'-P-C4' energy: -80.728
flat angles P-C4'-P energy: -57.152
tors. eta vs tors. theta energy: -96.679
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1427.276920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.276920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.076920 (E_RNA)
where:
Base-Base interactions energy: -832.012
where: short stacking energy: -337.710
Base-Backbone interact. energy: -1.844
local terms energy: -379.220584
where:
bonds (distance) C4'-P energy: -69.133
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -84.394
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: -89.844
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1369.905614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.905614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.905614 (E_RNA)
where:
Base-Base interactions energy: -808.236
where: short stacking energy: -340.421
Base-Backbone interact. energy: 7.192
local terms energy: -361.861035
where:
bonds (distance) C4'-P energy: -68.378
bonds (distance) P-C4' energy: -75.017
flat angles C4'-P-C4' energy: -85.677
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: -92.675
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1359.825529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.825529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.025529 (E_RNA)
where:
Base-Base interactions energy: -813.587
where: short stacking energy: -307.872
Base-Backbone interact. energy: 0.895
local terms energy: -338.334371
where:
bonds (distance) C4'-P energy: -68.287
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -48.230
tors. eta vs tors. theta energy: -78.370
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1261.891092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.891092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.691092 (E_RNA)
where:
Base-Base interactions energy: -727.473
where: short stacking energy: -296.242
Base-Backbone interact. energy: -0.813
local terms energy: -319.405651
where:
bonds (distance) C4'-P energy: -64.951
bonds (distance) P-C4' energy: -71.222
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -75.473
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1258.648837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.648837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.448837 (E_RNA)
where:
Base-Base interactions energy: -733.220
where: short stacking energy: -286.098
Base-Backbone interact. energy: -2.223
local terms energy: -309.006091
where:
bonds (distance) C4'-P energy: -65.255
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -42.458
tors. eta vs tors. theta energy: -65.771
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1195.948593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.948593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.748593 (E_RNA)
where:
Base-Base interactions energy: -699.588
where: short stacking energy: -278.813
Base-Backbone interact. energy: 0.638
local terms energy: -300.799340
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -68.827
flat angles P-C4'-P energy: -50.027
tors. eta vs tors. theta energy: -72.921
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1109.610079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.610079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.810079 (E_RNA)
where:
Base-Base interactions energy: -625.504
where: short stacking energy: -238.986
Base-Backbone interact. energy: 1.723
local terms energy: -277.029288
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -64.982
flat angles C4'-P-C4' energy: -61.284
flat angles P-C4'-P energy: -43.684
tors. eta vs tors. theta energy: -42.306
Dist. restrs. and SS energy: -208.800 (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: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1126.445405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.445405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.445405 (E_RNA)
where:
Base-Base interactions energy: -643.965
where: short stacking energy: -252.111
Base-Backbone interact. energy: -1.060
local terms energy: -283.420013
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -61.620
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -61.278
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -846.914408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.914408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.714408 (E_RNA)
where:
Base-Base interactions energy: -461.999
where: short stacking energy: -183.278
Base-Backbone interact. energy: 2.485
local terms energy: -236.200086
where:
bonds (distance) C4'-P energy: -52.598
bonds (distance) P-C4' energy: -61.400
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -42.356
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1464.749570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.749570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.949570 (E_RNA)
where:
Base-Base interactions energy: -895.774
where: short stacking energy: -373.338
Base-Backbone interact. energy: 5.392
local terms energy: -374.566874
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -68.989
flat angles C4'-P-C4' energy: -79.020
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -102.305
Dist. restrs. and SS energy: -199.800 (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: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1418.293220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.293220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.093220 (E_RNA)
where:
Base-Base interactions energy: -849.592
where: short stacking energy: -342.082
Base-Backbone interact. energy: -4.266
local terms energy: -359.235139
where:
bonds (distance) C4'-P energy: -66.546
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -83.354
flat angles P-C4'-P energy: -53.768
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1404.311295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.311295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.311295 (E_RNA)
where:
Base-Base interactions energy: -843.461
where: short stacking energy: -340.937
Base-Backbone interact. energy: -0.866
local terms energy: -352.984102
where:
bonds (distance) C4'-P energy: -61.969
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: -99.391
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1330.606385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.606385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.206385 (E_RNA)
where:
Base-Base interactions energy: -795.794
where: short stacking energy: -310.846
Base-Backbone interact. energy: -3.420
local terms energy: -318.992130
where:
bonds (distance) C4'-P energy: -61.859
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -61.721
flat angles P-C4'-P energy: -53.049
tors. eta vs tors. theta energy: -79.335
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1277.556755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.556755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.956755 (E_RNA)
where:
Base-Base interactions energy: -734.303
where: short stacking energy: -303.661
Base-Backbone interact. energy: -2.859
local terms energy: -329.794280
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -64.996
flat angles C4'-P-C4' energy: -76.125
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: -73.097
Dist. restrs. and SS energy: -210.600 (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: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1244.942773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.942773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.542773 (E_RNA)
where:
Base-Base interactions energy: -733.731
where: short stacking energy: -293.471
Base-Backbone interact. energy: -1.666
local terms energy: -297.145409
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -60.023
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -72.425
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1213.088207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.088207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.088207 (E_RNA)
where:
Base-Base interactions energy: -704.702
where: short stacking energy: -287.576
Base-Backbone interact. energy: -1.917
local terms energy: -308.469178
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -74.360
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -73.897
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1150.178312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.178312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.778312 (E_RNA)
where:
Base-Base interactions energy: -670.268
where: short stacking energy: -278.134
Base-Backbone interact. energy: 4.848
local terms energy: -290.358112
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -58.174
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -73.554
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1102.449434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.449434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.249434 (E_RNA)
where:
Base-Base interactions energy: -619.920
where: short stacking energy: -237.735
Base-Backbone interact. energy: 2.384
local terms energy: -279.713266
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -64.484
flat angles C4'-P-C4' energy: -62.166
flat angles P-C4'-P energy: -35.809
tors. eta vs tors. theta energy: -56.795
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -847.213625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.213625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.613625 (E_RNA)
where:
Base-Base interactions energy: -473.022
where: short stacking energy: -198.284
Base-Backbone interact. energy: 3.613
local terms energy: -230.204027
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -69.267
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1444.804307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.804307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.804307 (E_RNA)
where:
Base-Base interactions energy: -860.490
where: short stacking energy: -345.187
Base-Backbone interact. energy: -1.755
local terms energy: -366.559557
where:
bonds (distance) C4'-P energy: -78.525
bonds (distance) P-C4' energy: -63.261
flat angles C4'-P-C4' energy: -82.003
flat angles P-C4'-P energy: -60.159
tors. eta vs tors. theta energy: -82.612
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1429.229918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.229918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.029918 (E_RNA)
where:
Base-Base interactions energy: -862.895
where: short stacking energy: -353.068
Base-Backbone interact. energy: 3.570
local terms energy: -364.704849
where:
bonds (distance) C4'-P energy: -59.969
bonds (distance) P-C4' energy: -81.730
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -96.318
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1400.763556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.763556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.963556 (E_RNA)
where:
Base-Base interactions energy: -807.516
where: short stacking energy: -339.674
Base-Backbone interact. energy: -2.544
local terms energy: -381.903418
where:
bonds (distance) C4'-P energy: -70.094
bonds (distance) P-C4' energy: -71.775
flat angles C4'-P-C4' energy: -81.535
flat angles P-C4'-P energy: -54.275
tors. eta vs tors. theta energy: -104.223
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1318.741813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.741813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.141813 (E_RNA)
where:
Base-Base interactions energy: -777.212
where: short stacking energy: -290.470
Base-Backbone interact. energy: -2.717
local terms energy: -328.213307
where:
bonds (distance) C4'-P energy: -68.435
bonds (distance) P-C4' energy: -73.871
flat angles C4'-P-C4' energy: -73.111
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -74.958
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1267.445978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.445978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.445978 (E_RNA)
where:
Base-Base interactions energy: -723.063
where: short stacking energy: -297.897
Base-Backbone interact. energy: -1.466
local terms energy: -326.917231
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -64.421
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -73.299
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1247.979193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.979193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.379193 (E_RNA)
where:
Base-Base interactions energy: -727.660
where: short stacking energy: -309.000
Base-Backbone interact. energy: -0.242
local terms energy: -309.476892
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -69.657
flat angles C4'-P-C4' energy: -71.067
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -83.089
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1210.984400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.984400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.784400 (E_RNA)
where:
Base-Base interactions energy: -698.760
where: short stacking energy: -302.823
Base-Backbone interact. energy: -0.326
local terms energy: -315.697577
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -72.153
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -80.911
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1162.717260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.717260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.317260 (E_RNA)
where:
Base-Base interactions energy: -670.843
where: short stacking energy: -263.134
Base-Backbone interact. energy: 0.502
local terms energy: -297.976365
where:
bonds (distance) C4'-P energy: -71.314
bonds (distance) P-C4' energy: -58.763
flat angles C4'-P-C4' energy: -63.221
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -65.535
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1083.829461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.829461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.629461 (E_RNA)
where:
Base-Base interactions energy: -614.911
where: short stacking energy: -260.304
Base-Backbone interact. energy: 0.439
local terms energy: -273.158176
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -70.166
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -907.928571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.928571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.328571 (E_RNA)
where:
Base-Base interactions energy: -512.212
where: short stacking energy: -222.376
Base-Backbone interact. energy: 4.597
local terms energy: -234.713343
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -35.281
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1443.718973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.718973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.718973 (E_RNA)
where:
Base-Base interactions energy: -856.414
where: short stacking energy: -349.394
Base-Backbone interact. energy: -1.183
local terms energy: -370.122293
where:
bonds (distance) C4'-P energy: -66.817
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -79.621
flat angles P-C4'-P energy: -58.596
tors. eta vs tors. theta energy: -89.091
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1423.444685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.444685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.844685 (E_RNA)
where:
Base-Base interactions energy: -867.855
where: short stacking energy: -340.189
Base-Backbone interact. energy: -2.286
local terms energy: -351.703874
where:
bonds (distance) C4'-P energy: -61.912
bonds (distance) P-C4' energy: -75.877
flat angles C4'-P-C4' energy: -81.927
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -87.501
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1352.571370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.571370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.571370 (E_RNA)
where:
Base-Base interactions energy: -808.799
where: short stacking energy: -337.916
Base-Backbone interact. energy: 1.437
local terms energy: -338.209036
where:
bonds (distance) C4'-P energy: -63.638
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -78.395
flat angles P-C4'-P energy: -52.046
tors. eta vs tors. theta energy: -89.826
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1330.463009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.463009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.263009 (E_RNA)
where:
Base-Base interactions energy: -778.331
where: short stacking energy: -309.629
Base-Backbone interact. energy: -1.844
local terms energy: -336.087362
where:
bonds (distance) C4'-P energy: -75.194
bonds (distance) P-C4' energy: -59.748
flat angles C4'-P-C4' energy: -75.535
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -81.814
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1274.927304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.927304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.127304 (E_RNA)
where:
Base-Base interactions energy: -734.252
where: short stacking energy: -293.171
Base-Backbone interact. energy: -1.895
local terms energy: -320.980807
where:
bonds (distance) C4'-P energy: -63.617
bonds (distance) P-C4' energy: -69.680
flat angles C4'-P-C4' energy: -74.187
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -69.969
Dist. restrs. and SS energy: -217.800 (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: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1243.314924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.314924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.514924 (E_RNA)
where:
Base-Base interactions energy: -677.747
where: short stacking energy: -271.860
Base-Backbone interact. energy: -1.392
local terms energy: -346.376319
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -60.883
tors. eta vs tors. theta energy: -77.568
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1206.823492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.823492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.423492 (E_RNA)
where:
Base-Base interactions energy: -715.303
where: short stacking energy: -283.971
Base-Backbone interact. energy: 3.088
local terms energy: -300.209349
where:
bonds (distance) C4'-P energy: -58.732
bonds (distance) P-C4' energy: -58.236
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -77.958
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1148.636056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.636056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.236056 (E_RNA)
where:
Base-Base interactions energy: -676.910
where: short stacking energy: -278.301
Base-Backbone interact. energy: -2.512
local terms energy: -274.813848
where:
bonds (distance) C4'-P energy: -69.193
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -64.761
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -65.942
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1061.260393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.260393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.260393 (E_RNA)
where:
Base-Base interactions energy: -608.362
where: short stacking energy: -231.903
Base-Backbone interact. energy: -2.684
local terms energy: -261.214626
where:
bonds (distance) C4'-P energy: -70.866
bonds (distance) P-C4' energy: -52.705
flat angles C4'-P-C4' energy: -50.482
flat angles P-C4'-P energy: -34.598
tors. eta vs tors. theta energy: -52.564
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -907.931012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.931012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.931012 (E_RNA)
where:
Base-Base interactions energy: -517.793
where: short stacking energy: -204.081
Base-Backbone interact. energy: 4.685
local terms energy: -232.822683
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -65.324
flat angles C4'-P-C4' energy: -51.008
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1497.009017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.009017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.009017 (E_RNA)
where:
Base-Base interactions energy: -904.744
where: short stacking energy: -360.711
Base-Backbone interact. energy: -2.127
local terms energy: -383.138162
where:
bonds (distance) C4'-P energy: -72.162
bonds (distance) P-C4' energy: -72.765
flat angles C4'-P-C4' energy: -78.558
flat angles P-C4'-P energy: -62.819
tors. eta vs tors. theta energy: -96.834
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1412.696511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.696511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.896511 (E_RNA)
where:
Base-Base interactions energy: -829.125
where: short stacking energy: -336.651
Base-Backbone interact. energy: -4.567
local terms energy: -361.204202
where:
bonds (distance) C4'-P energy: -67.905
bonds (distance) P-C4' energy: -70.160
flat angles C4'-P-C4' energy: -84.922
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: -81.716
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1371.883545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.883545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.083545 (E_RNA)
where:
Base-Base interactions energy: -803.810
where: short stacking energy: -321.800
Base-Backbone interact. energy: -1.850
local terms energy: -348.423777
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -53.785
tors. eta vs tors. theta energy: -81.081
Dist. restrs. and SS energy: -217.800 (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: 346
Temperature: 1.050000
Total energy: -1330.687849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.687849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.687849 (E_RNA)
where:
Base-Base interactions energy: -782.307
where: short stacking energy: -328.998
Base-Backbone interact. energy: -1.404
local terms energy: -339.977212
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -76.075
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -85.720
Dist. restrs. and SS energy: -207.000 (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: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1254.654911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.654911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.254911 (E_RNA)
where:
Base-Base interactions energy: -749.225
where: short stacking energy: -313.679
Base-Backbone interact. energy: -1.649
local terms energy: -291.380309
where:
bonds (distance) C4'-P energy: -46.638
bonds (distance) P-C4' energy: -63.746
flat angles C4'-P-C4' energy: -73.372
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: -68.775
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1245.834220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.834220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.834220 (E_RNA)
where:
Base-Base interactions energy: -737.741
where: short stacking energy: -289.506
Base-Backbone interact. energy: 1.357
local terms energy: -293.450331
where:
bonds (distance) C4'-P energy: -68.157
bonds (distance) P-C4' energy: -62.013
flat angles C4'-P-C4' energy: -68.492
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -63.557
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1181.667416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.667416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.067416 (E_RNA)
where:
Base-Base interactions energy: -657.653
where: short stacking energy: -269.121
Base-Backbone interact. energy: -3.608
local terms energy: -318.806025
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -65.945
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1111.858845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.858845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.658845 (E_RNA)
where:
Base-Base interactions energy: -631.248
where: short stacking energy: -250.880
Base-Backbone interact. energy: 1.252
local terms energy: -294.662895
where:
bonds (distance) C4'-P energy: -66.205
bonds (distance) P-C4' energy: -67.980
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -30.506
tors. eta vs tors. theta energy: -55.214
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1073.628758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.628758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.428758 (E_RNA)
where:
Base-Base interactions energy: -617.782
where: short stacking energy: -230.895
Base-Backbone interact. energy: 2.577
local terms energy: -262.223586
where:
bonds (distance) C4'-P energy: -64.848
bonds (distance) P-C4' energy: -51.780
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -52.042
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -895.996696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.996696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.196696 (E_RNA)
where:
Base-Base interactions energy: -515.071
where: short stacking energy: -205.291
Base-Backbone interact. energy: -2.086
local terms energy: -215.040306
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -36.956
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1447.462119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.462119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.062119 (E_RNA)
where:
Base-Base interactions energy: -876.760
where: short stacking energy: -337.980
Base-Backbone interact. energy: -3.767
local terms energy: -363.534751
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -75.622
flat angles C4'-P-C4' energy: -80.350
flat angles P-C4'-P energy: -54.622
tors. eta vs tors. theta energy: -87.907
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1432.404119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.404119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.604119 (E_RNA)
where:
Base-Base interactions energy: -852.775
where: short stacking energy: -335.635
Base-Backbone interact. energy: -3.256
local terms energy: -358.572512
where:
bonds (distance) C4'-P energy: -67.701
bonds (distance) P-C4' energy: -65.258
flat angles C4'-P-C4' energy: -78.644
flat angles P-C4'-P energy: -61.417
tors. eta vs tors. theta energy: -85.553
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1370.501316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.501316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.901316 (E_RNA)
where:
Base-Base interactions energy: -804.812
where: short stacking energy: -324.297
Base-Backbone interact. energy: -4.640
local terms energy: -350.450163
where:
bonds (distance) C4'-P energy: -67.335
bonds (distance) P-C4' energy: -71.552
flat angles C4'-P-C4' energy: -79.210
flat angles P-C4'-P energy: -52.485
tors. eta vs tors. theta energy: -79.869
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1353.145687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.145687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.945687 (E_RNA)
where:
Base-Base interactions energy: -802.509
where: short stacking energy: -345.740
Base-Backbone interact. energy: -0.824
local terms energy: -344.612871
where:
bonds (distance) C4'-P energy: -56.499
bonds (distance) P-C4' energy: -64.617
flat angles C4'-P-C4' energy: -78.918
flat angles P-C4'-P energy: -50.510
tors. eta vs tors. theta energy: -94.069
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1299.912506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.912506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.912506 (E_RNA)
where:
Base-Base interactions energy: -756.413
where: short stacking energy: -304.577
Base-Backbone interact. energy: -1.756
local terms energy: -325.744011
where:
bonds (distance) C4'-P energy: -66.210
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -66.406
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -77.308
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1251.752018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.752018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.352018 (E_RNA)
where:
Base-Base interactions energy: -716.184
where: short stacking energy: -295.423
Base-Backbone interact. energy: -0.842
local terms energy: -322.325987
where:
bonds (distance) C4'-P energy: -62.690
bonds (distance) P-C4' energy: -69.844
flat angles C4'-P-C4' energy: -72.563
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -70.624
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1206.286139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.286139 (E_RNA)
where:
Base-Base interactions energy: -689.538
where: short stacking energy: -269.147
Base-Backbone interact. energy: -0.675
local terms energy: -318.072777
where:
bonds (distance) C4'-P energy: -70.766
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -72.054
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -68.611
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1097.295327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.295327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.495327 (E_RNA)
where:
Base-Base interactions energy: -643.121
where: short stacking energy: -260.040
Base-Backbone interact. energy: 1.174
local terms energy: -264.548376
where:
bonds (distance) C4'-P energy: -61.958
bonds (distance) P-C4' energy: -51.426
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -51.507
Dist. restrs. and SS energy: -190.800 (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: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1141.916576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.916576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.516576 (E_RNA)
where:
Base-Base interactions energy: -620.425
where: short stacking energy: -254.401
Base-Backbone interact. energy: -2.373
local terms energy: -324.718545
where:
bonds (distance) C4'-P energy: -79.922
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -73.765
flat angles P-C4'-P energy: -54.743
tors. eta vs tors. theta energy: -60.019
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -848.916456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.916456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.116456 (E_RNA)
where:
Base-Base interactions energy: -468.828
where: short stacking energy: -186.180
Base-Backbone interact. energy: -1.307
local terms energy: -232.981387
where:
bonds (distance) C4'-P energy: -62.078
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -39.031
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1476.633343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.633343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.433343 (E_RNA)
where:
Base-Base interactions energy: -908.407
where: short stacking energy: -339.527
Base-Backbone interact. energy: -1.917
local terms energy: -361.110074
where:
bonds (distance) C4'-P energy: -74.811
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -76.580
flat angles P-C4'-P energy: -55.159
tors. eta vs tors. theta energy: -89.401
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1420.564494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.564494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.564494 (E_RNA)
where:
Base-Base interactions energy: -852.998
where: short stacking energy: -338.616
Base-Backbone interact. energy: -3.691
local terms energy: -347.876014
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -68.221
flat angles P-C4'-P energy: -57.009
tors. eta vs tors. theta energy: -89.370
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1364.985642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.985642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.985642 (E_RNA)
where:
Base-Base interactions energy: -785.059
where: short stacking energy: -327.587
Base-Backbone interact. energy: -2.214
local terms energy: -370.713081
where:
bonds (distance) C4'-P energy: -69.029
bonds (distance) P-C4' energy: -62.602
flat angles C4'-P-C4' energy: -81.280
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -99.236
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1359.334812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.334812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.334812 (E_RNA)
where:
Base-Base interactions energy: -796.043
where: short stacking energy: -323.517
Base-Backbone interact. energy: 1.720
local terms energy: -349.011942
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -67.665
flat angles C4'-P-C4' energy: -75.500
flat angles P-C4'-P energy: -48.553
tors. eta vs tors. theta energy: -87.024
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1283.231101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.231101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.031101 (E_RNA)
where:
Base-Base interactions energy: -754.721
where: short stacking energy: -289.010
Base-Backbone interact. energy: -1.714
local terms energy: -312.595765
where:
bonds (distance) C4'-P energy: -57.874
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -62.747
flat angles P-C4'-P energy: -55.739
tors. eta vs tors. theta energy: -72.717
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1228.307264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.307264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.307264 (E_RNA)
where:
Base-Base interactions energy: -722.333
where: short stacking energy: -303.110
Base-Backbone interact. energy: 0.745
local terms energy: -290.719303
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -63.047
flat angles C4'-P-C4' energy: -72.513
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -72.038
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1159.680566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.680566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.280566 (E_RNA)
where:
Base-Base interactions energy: -686.579
where: short stacking energy: -264.228
Base-Backbone interact. energy: -2.892
local terms energy: -275.809115
where:
bonds (distance) C4'-P energy: -52.147
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -59.901
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -1090.701286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.701286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.901286 (E_RNA)
where:
Base-Base interactions energy: -607.410
where: short stacking energy: -253.985
Base-Backbone interact. energy: -1.212
local terms energy: -291.280256
where:
bonds (distance) C4'-P energy: -63.885
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -50.533
Dist. restrs. and SS energy: -190.800 (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: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1121.151454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.151454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.151454 (E_RNA)
where:
Base-Base interactions energy: -659.618
where: short stacking energy: -270.627
Base-Backbone interact. energy: 0.527
local terms energy: -264.060559
where:
bonds (distance) C4'-P energy: -45.038
bonds (distance) P-C4' energy: -60.943
flat angles C4'-P-C4' energy: -62.967
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -65.373
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -865.764996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.764996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.364996 (E_RNA)
where:
Base-Base interactions energy: -483.706
where: short stacking energy: -192.279
Base-Backbone interact. energy: -3.197
local terms energy: -238.462033
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -68.306
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -29.343
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1455.661964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.661964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.461964 (E_RNA)
where:
Base-Base interactions energy: -876.811
where: short stacking energy: -348.988
Base-Backbone interact. energy: -2.985
local terms energy: -370.665472
where:
bonds (distance) C4'-P energy: -66.087
bonds (distance) P-C4' energy: -80.430
flat angles C4'-P-C4' energy: -83.261
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -85.947
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1413.552678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.552678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.552678 (E_RNA)
where:
Base-Base interactions energy: -835.883
where: short stacking energy: -331.517
Base-Backbone interact. energy: -0.433
local terms energy: -361.235792
where:
bonds (distance) C4'-P energy: -76.905
bonds (distance) P-C4' energy: -68.901
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -52.664
tors. eta vs tors. theta energy: -86.795
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1377.286020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.286020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.486020 (E_RNA)
where:
Base-Base interactions energy: -811.764
where: short stacking energy: -350.283
Base-Backbone interact. energy: 6.536
local terms energy: -363.257321
where:
bonds (distance) C4'-P energy: -65.478
bonds (distance) P-C4' energy: -67.138
flat angles C4'-P-C4' energy: -74.321
flat angles P-C4'-P energy: -54.558
tors. eta vs tors. theta energy: -101.762
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1369.850004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.850004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.650004 (E_RNA)
where:
Base-Base interactions energy: -820.923
where: short stacking energy: -326.660
Base-Backbone interact. energy: -1.678
local terms energy: -333.049321
where:
bonds (distance) C4'-P energy: -58.159
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -73.515
flat angles P-C4'-P energy: -52.617
tors. eta vs tors. theta energy: -79.072
Dist. restrs. and SS energy: -214.200 (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: 349
Temperature: 1.100000
Total energy: -1307.183560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.183560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.983560 (E_RNA)
where:
Base-Base interactions energy: -764.130
where: short stacking energy: -311.818
Base-Backbone interact. energy: 0.759
local terms energy: -338.612897
where:
bonds (distance) C4'-P energy: -75.145
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -70.546
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -82.189
Dist. restrs. and SS energy: -205.200 (S_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: 349
Temperature: 1.150000
Total energy: -1240.752895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.752895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.752895 (E_RNA)
where:
Base-Base interactions energy: -720.665
where: short stacking energy: -308.623
Base-Backbone interact. energy: 1.506
local terms energy: -323.593567
where:
bonds (distance) C4'-P energy: -65.966
bonds (distance) P-C4' energy: -70.222
flat angles C4'-P-C4' energy: -77.437
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: -75.707
Dist. restrs. and SS energy: -198.000 (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: 349
Temperature: 1.200000
Total energy: -1224.450660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.450660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.450660 (E_RNA)
where:
Base-Base interactions energy: -722.784
where: short stacking energy: -300.204
Base-Backbone interact. energy: -0.966
local terms energy: -293.700269
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -55.084
flat angles C4'-P-C4' energy: -71.907
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -65.837
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1123.065026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.065026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.865026 (E_RNA)
where:
Base-Base interactions energy: -635.125
where: short stacking energy: -240.770
Base-Backbone interact. energy: -0.623
local terms energy: -291.117814
where:
bonds (distance) C4'-P energy: -57.756
bonds (distance) P-C4' energy: -67.106
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -47.443
tors. eta vs tors. theta energy: -56.605
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1048.392613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.392613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.192613 (E_RNA)
where:
Base-Base interactions energy: -604.291
where: short stacking energy: -234.133
Base-Backbone interact. energy: -1.573
local terms energy: -246.328251
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -65.080
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -40.173
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -845.392140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.392140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.992140 (E_RNA)
where:
Base-Base interactions energy: -481.851
where: short stacking energy: -197.011
Base-Backbone interact. energy: -0.791
local terms energy: -222.350313
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -55.936
flat angles C4'-P-C4' energy: -54.963
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -28.678
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1480.767755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.767755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.567755 (E_RNA)
where:
Base-Base interactions energy: -900.342
where: short stacking energy: -341.054
Base-Backbone interact. energy: -1.002
local terms energy: -374.223913
where:
bonds (distance) C4'-P energy: -77.312
bonds (distance) P-C4' energy: -74.296
flat angles C4'-P-C4' energy: -90.580
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -83.155
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1434.229650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.229650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.829650 (E_RNA)
where:
Base-Base interactions energy: -843.515
where: short stacking energy: -328.876
Base-Backbone interact. energy: -2.437
local terms energy: -375.877382
where:
bonds (distance) C4'-P energy: -72.675
bonds (distance) P-C4' energy: -72.621
flat angles C4'-P-C4' energy: -84.114
flat angles P-C4'-P energy: -56.615
tors. eta vs tors. theta energy: -89.853
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1383.323304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.323304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.923304 (E_RNA)
where:
Base-Base interactions energy: -825.341
where: short stacking energy: -329.128
Base-Backbone interact. energy: 2.175
local terms energy: -347.757421
where:
bonds (distance) C4'-P energy: -64.905
bonds (distance) P-C4' energy: -72.676
flat angles C4'-P-C4' energy: -69.878
flat angles P-C4'-P energy: -55.518
tors. eta vs tors. theta energy: -84.781
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1350.327810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.327810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.927810 (E_RNA)
where:
Base-Base interactions energy: -803.397
where: short stacking energy: -320.906
Base-Backbone interact. energy: 3.709
local terms energy: -347.239071
where:
bonds (distance) C4'-P energy: -67.247
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -44.692
tors. eta vs tors. theta energy: -88.561
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. 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: -1313.569340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.569340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.369340 (E_RNA)
where:
Base-Base interactions energy: -759.136
where: short stacking energy: -298.749
Base-Backbone interact. energy: 1.086
local terms energy: -341.319513
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -70.449
flat angles C4'-P-C4' energy: -77.038
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -79.329
Dist. restrs. and SS energy: -214.200 (S_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: 350
Temperature: 1.150000
Total energy: -1210.562911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.562911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.762911 (E_RNA)
where:
Base-Base interactions energy: -710.038
where: short stacking energy: -285.187
Base-Backbone interact. energy: -0.635
local terms energy: -300.090490
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -69.494
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -68.116
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1256.922676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.922676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.922676 (E_RNA)
where:
Base-Base interactions energy: -712.845
where: short stacking energy: -293.236
Base-Backbone interact. energy: -2.110
local terms energy: -325.968203
where:
bonds (distance) C4'-P energy: -66.188
bonds (distance) P-C4' energy: -60.894
flat angles C4'-P-C4' energy: -76.388
flat angles P-C4'-P energy: -48.769
tors. eta vs tors. theta energy: -73.729
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1087.844865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.844865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.044865 (E_RNA)
where:
Base-Base interactions energy: -620.013
where: short stacking energy: -242.395
Base-Backbone interact. energy: 2.828
local terms energy: -279.859655
where:
bonds (distance) C4'-P energy: -64.701
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: -190.800 (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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1082.117036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.117036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.117036 (E_RNA)
where:
Base-Base interactions energy: -613.293
where: short stacking energy: -247.741
Base-Backbone interact. energy: 0.294
local terms energy: -271.117491
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -63.366
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -850.249649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.249649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.849649 (E_RNA)
where:
Base-Base interactions energy: -483.791
where: short stacking energy: -183.233
Base-Backbone interact. energy: -0.201
local terms energy: -225.857860
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -58.514
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1471.724169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.724169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.524169 (E_RNA)
where:
Base-Base interactions energy: -902.244
where: short stacking energy: -351.536
Base-Backbone interact. energy: 1.442
local terms energy: -365.721997
where:
bonds (distance) C4'-P energy: -72.592
bonds (distance) P-C4' energy: -74.838
flat angles C4'-P-C4' energy: -82.655
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -90.203
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1417.714064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.714064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.714064 (E_RNA)
where:
Base-Base interactions energy: -833.088
where: short stacking energy: -321.309
Base-Backbone interact. energy: -4.275
local terms energy: -364.350933
where:
bonds (distance) C4'-P energy: -77.106
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -81.673
flat angles P-C4'-P energy: -51.441
tors. eta vs tors. theta energy: -85.769
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1390.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.452922 (E_RNA)
where:
Base-Base interactions energy: -823.977
where: short stacking energy: -324.026
Base-Backbone interact. energy: -2.978
local terms energy: -356.497833
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -77.354
flat angles C4'-P-C4' energy: -74.285
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -78.164
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1340.691189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.691189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.091189 (E_RNA)
where:
Base-Base interactions energy: -792.395
where: short stacking energy: -316.095
Base-Backbone interact. energy: -1.000
local terms energy: -336.696247
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -67.525
flat angles C4'-P-C4' energy: -70.263
flat angles P-C4'-P energy: -50.949
tors. eta vs tors. theta energy: -87.651
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1317.450991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.450991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.250991 (E_RNA)
where:
Base-Base interactions energy: -768.860
where: short stacking energy: -317.503
Base-Backbone interact. energy: 4.818
local terms energy: -348.208230
where:
bonds (distance) C4'-P energy: -67.735
bonds (distance) P-C4' energy: -68.113
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -57.777
tors. eta vs tors. theta energy: -81.176
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1206.127820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.127820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.127820 (E_RNA)
where:
Base-Base interactions energy: -684.949
where: short stacking energy: -284.110
Base-Backbone interact. energy: -0.203
local terms energy: -304.975611
where:
bonds (distance) C4'-P energy: -73.283
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -70.248
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -62.361
Dist. restrs. and SS energy: -216.000 (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: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1181.562431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.562431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.762431 (E_RNA)
where:
Base-Base interactions energy: -692.187
where: short stacking energy: -270.166
Base-Backbone interact. energy: -2.803
local terms energy: -286.772402
where:
bonds (distance) C4'-P energy: -54.747
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -65.173
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: -61.233
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1092.532023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.532023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.732023 (E_RNA)
where:
Base-Base interactions energy: -605.347
where: short stacking energy: -251.824
Base-Backbone interact. energy: -0.315
local terms energy: -287.070019
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -36.462
tors. eta vs tors. theta energy: -60.064
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1058.288984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.888984 (E_RNA)
where:
Base-Base interactions energy: -607.334
where: short stacking energy: -248.698
Base-Backbone interact. energy: -0.587
local terms energy: -264.968043
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -872.635649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.635649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.235649 (E_RNA)
where:
Base-Base interactions energy: -503.140
where: short stacking energy: -225.927
Base-Backbone interact. energy: 0.438
local terms energy: -229.534405
where:
bonds (distance) C4'-P energy: -36.963
bonds (distance) P-C4' energy: -55.777
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -30.430
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1467.268833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.268833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.668833 (E_RNA)
where:
Base-Base interactions energy: -897.822
where: short stacking energy: -339.739
Base-Backbone interact. energy: -3.117
local terms energy: -364.729422
where:
bonds (distance) C4'-P energy: -72.049
bonds (distance) P-C4' energy: -82.104
flat angles C4'-P-C4' energy: -83.976
flat angles P-C4'-P energy: -46.056
tors. eta vs tors. theta energy: -80.545
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1419.779428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.779428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.579428 (E_RNA)
where:
Base-Base interactions energy: -850.049
where: short stacking energy: -342.244
Base-Backbone interact. energy: -1.094
local terms energy: -354.436996
where:
bonds (distance) C4'-P energy: -71.329
bonds (distance) P-C4' energy: -75.133
flat angles C4'-P-C4' energy: -78.127
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -87.331
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1369.382154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.382154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.182154 (E_RNA)
where:
Base-Base interactions energy: -806.797
where: short stacking energy: -348.966
Base-Backbone interact. energy: -1.074
local terms energy: -347.310821
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -77.963
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -82.749
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1362.006310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.006310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.006310 (E_RNA)
where:
Base-Base interactions energy: -824.642
where: short stacking energy: -326.733
Base-Backbone interact. energy: -2.423
local terms energy: -318.940890
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -63.402
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -49.900
tors. eta vs tors. theta energy: -82.715
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1287.639167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.639167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.639167 (E_RNA)
where:
Base-Base interactions energy: -744.169
where: short stacking energy: -299.719
Base-Backbone interact. energy: -2.299
local terms energy: -334.171766
where:
bonds (distance) C4'-P energy: -66.682
bonds (distance) P-C4' energy: -64.750
flat angles C4'-P-C4' energy: -77.309
flat angles P-C4'-P energy: -45.996
tors. eta vs tors. theta energy: -79.435
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1224.217211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.217211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.017211 (E_RNA)
where:
Base-Base interactions energy: -699.719
where: short stacking energy: -287.614
Base-Backbone interact. energy: -1.427
local terms energy: -308.871429
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -46.420
tors. eta vs tors. theta energy: -64.767
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1232.073957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.073957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.673957 (E_RNA)
where:
Base-Base interactions energy: -726.780
where: short stacking energy: -285.971
Base-Backbone interact. energy: 0.890
local terms energy: -302.783649
where:
bonds (distance) C4'-P energy: -55.048
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -74.533
flat angles P-C4'-P energy: -47.210
tors. eta vs tors. theta energy: -74.421
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1103.613682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.613682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.213682 (E_RNA)
where:
Base-Base interactions energy: -630.148
where: short stacking energy: -257.155
Base-Backbone interact. energy: -2.161
local terms energy: -276.904437
where:
bonds (distance) C4'-P energy: -55.606
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -74.525
flat angles P-C4'-P energy: -39.033
tors. eta vs tors. theta energy: -53.841
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1033.643823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.643823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.043823 (E_RNA)
where:
Base-Base interactions energy: -588.651
where: short stacking energy: -234.729
Base-Backbone interact. energy: -0.452
local terms energy: -251.940983
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -46.989
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -912.668379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.668379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.268379 (E_RNA)
where:
Base-Base interactions energy: -522.640
where: short stacking energy: -196.617
Base-Backbone interact. energy: -1.863
local terms energy: -238.765358
where:
bonds (distance) C4'-P energy: -44.784
bonds (distance) P-C4' energy: -60.348
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -40.366
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1458.684540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.684540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.484540 (E_RNA)
where:
Base-Base interactions energy: -887.806
where: short stacking energy: -336.461
Base-Backbone interact. energy: -0.491
local terms energy: -365.187421
where:
bonds (distance) C4'-P energy: -69.999
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -81.063
flat angles P-C4'-P energy: -56.921
tors. eta vs tors. theta energy: -92.400
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1417.029375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.029375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.229375 (E_RNA)
where:
Base-Base interactions energy: -837.740
where: short stacking energy: -344.790
Base-Backbone interact. energy: -2.688
local terms energy: -358.800963
where:
bonds (distance) C4'-P energy: -67.762
bonds (distance) P-C4' energy: -75.668
flat angles C4'-P-C4' energy: -75.972
flat angles P-C4'-P energy: -50.532
tors. eta vs tors. theta energy: -88.867
Dist. restrs. and SS energy: -217.800 (S_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: 353
Temperature: 1.000000
Total energy: -1372.577809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.577809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.577809 (E_RNA)
where:
Base-Base interactions energy: -794.365
where: short stacking energy: -307.420
Base-Backbone interact. energy: -1.857
local terms energy: -360.356216
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -80.345
flat angles C4'-P-C4' energy: -76.614
flat angles P-C4'-P energy: -53.484
tors. eta vs tors. theta energy: -81.850
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1373.377346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.377346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.377346 (E_RNA)
where:
Base-Base interactions energy: -809.030
where: short stacking energy: -315.329
Base-Backbone interact. energy: -3.153
local terms energy: -345.194407
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -70.837
flat angles C4'-P-C4' energy: -71.399
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -88.506
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1326.956523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.956523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.156523 (E_RNA)
where:
Base-Base interactions energy: -777.776
where: short stacking energy: -324.795
Base-Backbone interact. energy: 1.302
local terms energy: -341.683086
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -78.899
flat angles P-C4'-P energy: -54.866
tors. eta vs tors. theta energy: -90.911
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1250.211013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.211013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.811013 (E_RNA)
where:
Base-Base interactions energy: -729.400
where: short stacking energy: -301.304
Base-Backbone interact. energy: 4.129
local terms energy: -321.539943
where:
bonds (distance) C4'-P energy: -68.845
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -76.643
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -77.313
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1218.865058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.865058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.065058 (E_RNA)
where:
Base-Base interactions energy: -710.319
where: short stacking energy: -285.048
Base-Backbone interact. energy: 0.348
local terms energy: -300.093812
where:
bonds (distance) C4'-P energy: -61.111
bonds (distance) P-C4' energy: -71.937
flat angles C4'-P-C4' energy: -62.607
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -63.760
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1077.443959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.443959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.443959 (E_RNA)
where:
Base-Base interactions energy: -611.810
where: short stacking energy: -238.583
Base-Backbone interact. energy: 2.860
local terms energy: -270.493860
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -56.876
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1048.406104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.406104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.406104 (E_RNA)
where:
Base-Base interactions energy: -597.698
where: short stacking energy: -226.151
Base-Backbone interact. energy: -2.556
local terms energy: -250.152215
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -40.495
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -865.355426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.355426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.155426 (E_RNA)
where:
Base-Base interactions energy: -469.155
where: short stacking energy: -188.207
Base-Backbone interact. energy: -2.858
local terms energy: -242.142566
where:
bonds (distance) C4'-P energy: -46.877
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -67.759
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -32.394
Dist. restrs. and SS energy: -151.200 (S_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: 354
Temperature: 0.900000
Total energy: -1455.156977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.156977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.356977 (E_RNA)
where:
Base-Base interactions energy: -885.655
where: short stacking energy: -349.796
Base-Backbone interact. energy: -3.573
local terms energy: -348.128549
where:
bonds (distance) C4'-P energy: -59.916
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -76.428
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1413.551698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.551698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.351698 (E_RNA)
where:
Base-Base interactions energy: -848.892
where: short stacking energy: -335.769
Base-Backbone interact. energy: -2.371
local terms energy: -357.087732
where:
bonds (distance) C4'-P energy: -76.964
bonds (distance) P-C4' energy: -62.823
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -56.883
tors. eta vs tors. theta energy: -77.880
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1393.911536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.911536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.511536 (E_RNA)
where:
Base-Base interactions energy: -832.782
where: short stacking energy: -345.872
Base-Backbone interact. energy: -2.738
local terms energy: -345.990802
where:
bonds (distance) C4'-P energy: -68.511
bonds (distance) P-C4' energy: -58.535
flat angles C4'-P-C4' energy: -72.032
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -99.152
Dist. restrs. and SS energy: -212.400 (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: 354
Temperature: 1.050000
Total energy: -1344.426908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.426908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.226908 (E_RNA)
where:
Base-Base interactions energy: -801.171
where: short stacking energy: -320.710
Base-Backbone interact. energy: -1.179
local terms energy: -327.877390
where:
bonds (distance) C4'-P energy: -64.989
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -49.272
tors. eta vs tors. theta energy: -75.830
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1302.205359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.205359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.205359 (E_RNA)
where:
Base-Base interactions energy: -764.143
where: short stacking energy: -323.302
Base-Backbone interact. energy: 2.040
local terms energy: -333.102429
where:
bonds (distance) C4'-P energy: -69.792
bonds (distance) P-C4' energy: -58.578
flat angles C4'-P-C4' energy: -73.399
flat angles P-C4'-P energy: -49.675
tors. eta vs tors. theta energy: -81.659
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1235.398497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.398497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.398497 (E_RNA)
where:
Base-Base interactions energy: -706.263
where: short stacking energy: -286.943
Base-Backbone interact. energy: -2.436
local terms energy: -328.699630
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -73.488
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -82.086
Dist. restrs. and SS energy: -198.000 (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: 354
Temperature: 1.200000
Total energy: -1160.337471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.337471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.537471 (E_RNA)
where:
Base-Base interactions energy: -655.566
where: short stacking energy: -255.818
Base-Backbone interact. energy: -1.503
local terms energy: -294.468396
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -70.661
flat angles C4'-P-C4' energy: -63.415
flat angles P-C4'-P energy: -45.174
tors. eta vs tors. theta energy: -60.671
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1155.059046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.059046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.659046 (E_RNA)
where:
Base-Base interactions energy: -667.253
where: short stacking energy: -278.794
Base-Backbone interact. energy: 0.188
local terms energy: -293.594634
where:
bonds (distance) C4'-P energy: -56.842
bonds (distance) P-C4' energy: -59.299
flat angles C4'-P-C4' energy: -63.774
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -65.737
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1084.121796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.121796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.721796 (E_RNA)
where:
Base-Base interactions energy: -622.967
where: short stacking energy: -253.846
Base-Backbone interact. energy: 3.943
local terms energy: -279.697793
where:
bonds (distance) C4'-P energy: -64.737
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -47.134
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -867.984058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.984058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.584058 (E_RNA)
where:
Base-Base interactions energy: -505.337
where: short stacking energy: -210.803
Base-Backbone interact. energy: -1.580
local terms energy: -211.666650
where:
bonds (distance) C4'-P energy: -52.994
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -51.082
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1462.326561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.326561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.726561 (E_RNA)
where:
Base-Base interactions energy: -866.432
where: short stacking energy: -344.594
Base-Backbone interact. energy: -2.167
local terms energy: -374.127525
where:
bonds (distance) C4'-P energy: -67.535
bonds (distance) P-C4' energy: -81.668
flat angles C4'-P-C4' energy: -84.580
flat angles P-C4'-P energy: -55.961
tors. eta vs tors. theta energy: -84.384
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1420.999485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.999485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.199485 (E_RNA)
where:
Base-Base interactions energy: -869.842
where: short stacking energy: -358.104
Base-Backbone interact. energy: -0.949
local terms energy: -350.409445
where:
bonds (distance) C4'-P energy: -69.138
bonds (distance) P-C4' energy: -75.742
flat angles C4'-P-C4' energy: -76.564
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -83.062
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1381.917690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.917690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.517690 (E_RNA)
where:
Base-Base interactions energy: -818.498
where: short stacking energy: -315.798
Base-Backbone interact. energy: -1.337
local terms energy: -349.681805
where:
bonds (distance) C4'-P energy: -72.811
bonds (distance) P-C4' energy: -63.584
flat angles C4'-P-C4' energy: -78.756
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -86.150
Dist. restrs. and SS energy: -212.400 (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: 355
Temperature: 1.050000
Total energy: -1342.817642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.817642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.817642 (E_RNA)
where:
Base-Base interactions energy: -780.659
where: short stacking energy: -312.693
Base-Backbone interact. energy: -1.042
local terms energy: -345.116701
where:
bonds (distance) C4'-P energy: -71.280
bonds (distance) P-C4' energy: -68.052
flat angles C4'-P-C4' energy: -72.869
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -74.540
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1332.862965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.662965 (E_RNA)
where:
Base-Base interactions energy: -769.937
where: short stacking energy: -323.716
Base-Backbone interact. energy: -0.863
local terms energy: -356.862130
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -73.476
flat angles P-C4'-P energy: -59.168
tors. eta vs tors. theta energy: -85.750
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1212.752605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.752605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.352605 (E_RNA)
where:
Base-Base interactions energy: -693.687
where: short stacking energy: -251.776
Base-Backbone interact. energy: -4.210
local terms energy: -302.455035
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -67.555
flat angles C4'-P-C4' energy: -64.288
flat angles P-C4'-P energy: -46.057
tors. eta vs tors. theta energy: -61.517
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1165.385253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.385253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.385253 (E_RNA)
where:
Base-Base interactions energy: -676.277
where: short stacking energy: -270.507
Base-Backbone interact. energy: -3.677
local terms energy: -296.431339
where:
bonds (distance) C4'-P energy: -63.252
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -43.626
tors. eta vs tors. theta energy: -57.687
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1116.088420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.088420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.488420 (E_RNA)
where:
Base-Base interactions energy: -627.686
where: short stacking energy: -239.604
Base-Backbone interact. energy: -1.066
local terms energy: -294.736771
where:
bonds (distance) C4'-P energy: -61.778
bonds (distance) P-C4' energy: -65.908
flat angles C4'-P-C4' energy: -65.586
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -49.962
Dist. restrs. and SS energy: -192.600 (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: 355
Temperature: 1.300000
Total energy: -1065.746857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.746857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.346857 (E_RNA)
where:
Base-Base interactions energy: -618.793
where: short stacking energy: -245.604
Base-Backbone interact. energy: 0.077
local terms energy: -252.630407
where:
bonds (distance) C4'-P energy: -50.614
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -43.076
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -881.690823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.690823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.290823 (E_RNA)
where:
Base-Base interactions energy: -516.262
where: short stacking energy: -223.988
Base-Backbone interact. energy: 0.085
local terms energy: -225.114686
where:
bonds (distance) C4'-P energy: -54.631
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -49.182
flat angles P-C4'-P energy: -31.975
tors. eta vs tors. theta energy: -40.413
Dist. restrs. and SS energy: -140.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1470.765913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.765913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.765913 (E_RNA)
where:
Base-Base interactions energy: -875.420
where: short stacking energy: -351.169
Base-Backbone interact. energy: -3.885
local terms energy: -375.460229
where:
bonds (distance) C4'-P energy: -65.438
bonds (distance) P-C4' energy: -78.408
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -58.093
tors. eta vs tors. theta energy: -95.683
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1419.981678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.981678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.381678 (E_RNA)
where:
Base-Base interactions energy: -861.839
where: short stacking energy: -341.669
Base-Backbone interact. energy: -2.357
local terms energy: -354.185356
where:
bonds (distance) C4'-P energy: -72.036
bonds (distance) P-C4' energy: -69.611
flat angles C4'-P-C4' energy: -74.696
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -86.347
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1406.836142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.836142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.836142 (E_RNA)
where:
Base-Base interactions energy: -851.123
where: short stacking energy: -342.433
Base-Backbone interact. energy: -3.040
local terms energy: -336.673550
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -71.985
flat angles C4'-P-C4' energy: -72.523
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -88.356
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1308.464332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.464332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.664332 (E_RNA)
where:
Base-Base interactions energy: -766.646
where: short stacking energy: -310.887
Base-Backbone interact. energy: -1.466
local terms energy: -322.552468
where:
bonds (distance) C4'-P energy: -63.393
bonds (distance) P-C4' energy: -70.396
flat angles C4'-P-C4' energy: -67.528
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -76.162
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1336.152476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.152476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.552476 (E_RNA)
where:
Base-Base interactions energy: -802.012
where: short stacking energy: -335.477
Base-Backbone interact. energy: -1.095
local terms energy: -331.445535
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -74.509
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: -84.268
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1226.544025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.544025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.344025 (E_RNA)
where:
Base-Base interactions energy: -712.417
where: short stacking energy: -273.175
Base-Backbone interact. energy: -0.508
local terms energy: -299.419536
where:
bonds (distance) C4'-P energy: -59.336
bonds (distance) P-C4' energy: -70.534
flat angles C4'-P-C4' energy: -68.491
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -55.602
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1191.687997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.687997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.087997 (E_RNA)
where:
Base-Base interactions energy: -713.070
where: short stacking energy: -287.893
Base-Backbone interact. energy: -3.515
local terms energy: -282.503178
where:
bonds (distance) C4'-P energy: -61.177
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -64.615
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1147.042167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.042167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.842167 (E_RNA)
where:
Base-Base interactions energy: -669.778
where: short stacking energy: -256.596
Base-Backbone interact. energy: -0.838
local terms energy: -280.226373
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -56.478
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -59.686
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -903.866073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.866073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.066073 (E_RNA)
where:
Base-Base interactions energy: -488.866
where: short stacking energy: -204.181
Base-Backbone interact. energy: -1.654
local terms energy: -267.545418
where:
bonds (distance) C4'-P energy: -64.975
bonds (distance) P-C4' energy: -57.783
flat angles C4'-P-C4' energy: -60.241
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -39.345
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1008.135172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.135172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.135172 (E_RNA)
where:
Base-Base interactions energy: -561.551
where: short stacking energy: -217.213
Base-Backbone interact. energy: -1.855
local terms energy: -264.729942
where:
bonds (distance) C4'-P energy: -53.349
bonds (distance) P-C4' energy: -66.656
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -39.002
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1491.883680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.883680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.283680 (E_RNA)
where:
Base-Base interactions energy: -887.275
where: short stacking energy: -340.461
Base-Backbone interact. energy: -3.854
local terms energy: -381.154506
where:
bonds (distance) C4'-P energy: -75.333
bonds (distance) P-C4' energy: -72.926
flat angles C4'-P-C4' energy: -77.126
flat angles P-C4'-P energy: -65.722
tors. eta vs tors. theta energy: -90.048
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1410.255987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.255987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.255987 (E_RNA)
where:
Base-Base interactions energy: -818.636
where: short stacking energy: -343.630
Base-Backbone interact. energy: -1.267
local terms energy: -374.353248
where:
bonds (distance) C4'-P energy: -74.796
bonds (distance) P-C4' energy: -71.755
flat angles C4'-P-C4' energy: -81.975
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -85.914
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1412.939164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.539164 (E_RNA)
where:
Base-Base interactions energy: -869.029
where: short stacking energy: -335.923
Base-Backbone interact. energy: 0.123
local terms energy: -340.632958
where:
bonds (distance) C4'-P energy: -68.845
bonds (distance) P-C4' energy: -72.863
flat angles C4'-P-C4' energy: -69.490
flat angles P-C4'-P energy: -49.265
tors. eta vs tors. theta energy: -80.170
Dist. restrs. and SS energy: -203.400 (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: 357
Temperature: 1.050000
Total energy: -1314.373723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.373723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.973723 (E_RNA)
where:
Base-Base interactions energy: -756.627
where: short stacking energy: -323.424
Base-Backbone interact. energy: 0.363
local terms energy: -345.710104
where:
bonds (distance) C4'-P energy: -67.874
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -77.255
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: -74.026
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1331.678290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.678290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.678290 (E_RNA)
where:
Base-Base interactions energy: -798.588
where: short stacking energy: -322.452
Base-Backbone interact. energy: 0.129
local terms energy: -326.219265
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -55.971
flat angles C4'-P-C4' energy: -70.701
flat angles P-C4'-P energy: -50.150
tors. eta vs tors. theta energy: -88.466
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1188.730567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.730567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.930567 (E_RNA)
where:
Base-Base interactions energy: -686.951
where: short stacking energy: -276.637
Base-Backbone interact. energy: -0.388
local terms energy: -310.592089
where:
bonds (distance) C4'-P energy: -64.136
bonds (distance) P-C4' energy: -58.052
flat angles C4'-P-C4' energy: -82.076
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -59.848
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1193.141440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.141440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.941440 (E_RNA)
where:
Base-Base interactions energy: -678.796
where: short stacking energy: -286.645
Base-Backbone interact. energy: -1.033
local terms energy: -299.111592
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -60.594
flat angles P-C4'-P energy: -52.434
tors. eta vs tors. theta energy: -64.083
Dist. restrs. and SS energy: -214.200 (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: 357
Temperature: 1.250000
Total energy: -1153.091589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.091589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.691589 (E_RNA)
where:
Base-Base interactions energy: -677.496
where: short stacking energy: -255.303
Base-Backbone interact. energy: -2.481
local terms energy: -269.714397
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -59.262
flat angles P-C4'-P energy: -34.755
tors. eta vs tors. theta energy: -56.252
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -895.487041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.487041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.887041 (E_RNA)
where:
Base-Base interactions energy: -510.803
where: short stacking energy: -217.206
Base-Backbone interact. energy: -1.539
local terms energy: -235.544921
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -48.500
flat angles C4'-P-C4' energy: -61.213
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1022.066522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.066522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.666522 (E_RNA)
where:
Base-Base interactions energy: -575.033
where: short stacking energy: -216.920
Base-Backbone interact. energy: -1.808
local terms energy: -250.825412
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -62.275
flat angles P-C4'-P energy: -38.580
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1462.617475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.617475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.817475 (E_RNA)
where:
Base-Base interactions energy: -863.938
where: short stacking energy: -346.966
Base-Backbone interact. energy: -3.570
local terms energy: -377.309476
where:
bonds (distance) C4'-P energy: -70.598
bonds (distance) P-C4' energy: -76.475
flat angles C4'-P-C4' energy: -86.894
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -92.512
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1407.064885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.064885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.664885 (E_RNA)
where:
Base-Base interactions energy: -844.192
where: short stacking energy: -333.754
Base-Backbone interact. energy: 1.260
local terms energy: -351.732805
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -73.863
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -83.964
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1404.495897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.495897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.295897 (E_RNA)
where:
Base-Base interactions energy: -849.031
where: short stacking energy: -346.295
Base-Backbone interact. energy: 0.040
local terms energy: -350.304422
where:
bonds (distance) C4'-P energy: -67.449
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -75.819
flat angles P-C4'-P energy: -43.676
tors. eta vs tors. theta energy: -86.064
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1365.697859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.697859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.497859 (E_RNA)
where:
Base-Base interactions energy: -822.308
where: short stacking energy: -328.423
Base-Backbone interact. energy: 1.118
local terms energy: -330.308071
where:
bonds (distance) C4'-P energy: -66.466
bonds (distance) P-C4' energy: -62.343
flat angles C4'-P-C4' energy: -78.001
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -83.710
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1338.195812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.195812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.395812 (E_RNA)
where:
Base-Base interactions energy: -787.532
where: short stacking energy: -334.664
Base-Backbone interact. energy: 0.931
local terms energy: -342.795098
where:
bonds (distance) C4'-P energy: -66.614
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -71.995
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -91.868
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1214.369553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.369553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.969553 (E_RNA)
where:
Base-Base interactions energy: -705.123
where: short stacking energy: -288.284
Base-Backbone interact. energy: 1.224
local terms energy: -316.070371
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -68.807
flat angles C4'-P-C4' energy: -70.971
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -65.180
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1209.573746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.573746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.573746 (E_RNA)
where:
Base-Base interactions energy: -697.926
where: short stacking energy: -277.627
Base-Backbone interact. energy: -0.596
local terms energy: -304.052118
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -58.263
flat angles C4'-P-C4' energy: -75.812
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -67.223
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1142.035771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.035771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.635771 (E_RNA)
where:
Base-Base interactions energy: -677.776
where: short stacking energy: -277.426
Base-Backbone interact. energy: 2.720
local terms energy: -281.580552
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -57.209
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: -68.596
Dist. restrs. and SS energy: -185.400 (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: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1020.678152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.678152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.078152 (E_RNA)
where:
Base-Base interactions energy: -567.958
where: short stacking energy: -217.088
Base-Backbone interact. energy: 1.333
local terms energy: -270.452930
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -71.157
flat angles C4'-P-C4' energy: -72.013
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -45.751
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -874.720198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.720198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.120198 (E_RNA)
where:
Base-Base interactions energy: -483.249
where: short stacking energy: -194.964
Base-Backbone interact. energy: -1.029
local terms energy: -242.841776
where:
bonds (distance) C4'-P energy: -54.422
bonds (distance) P-C4' energy: -62.074
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: -147.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1444.125166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.125166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.925166 (E_RNA)
where:
Base-Base interactions energy: -867.239
where: short stacking energy: -337.323
Base-Backbone interact. energy: -1.594
local terms energy: -361.092653
where:
bonds (distance) C4'-P energy: -69.579
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -75.802
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -84.037
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1409.377177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.377177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.977177 (E_RNA)
where:
Base-Base interactions energy: -829.359
where: short stacking energy: -326.682
Base-Backbone interact. energy: -3.454
local terms energy: -373.164459
where:
bonds (distance) C4'-P energy: -69.259
bonds (distance) P-C4' energy: -74.156
flat angles C4'-P-C4' energy: -83.240
flat angles P-C4'-P energy: -55.888
tors. eta vs tors. theta energy: -90.621
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1388.918045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.918045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.918045 (E_RNA)
where:
Base-Base interactions energy: -830.233
where: short stacking energy: -328.903
Base-Backbone interact. energy: 0.891
local terms energy: -343.576014
where:
bonds (distance) C4'-P energy: -75.205
bonds (distance) P-C4' energy: -71.828
flat angles C4'-P-C4' energy: -78.854
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -86.901
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1326.545909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.545909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.145909 (E_RNA)
where:
Base-Base interactions energy: -799.435
where: short stacking energy: -311.350
Base-Backbone interact. energy: -0.978
local terms energy: -313.733387
where:
bonds (distance) C4'-P energy: -58.790
bonds (distance) P-C4' energy: -71.895
flat angles C4'-P-C4' energy: -68.987
flat angles P-C4'-P energy: -38.353
tors. eta vs tors. theta energy: -75.709
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1295.309848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.309848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.109848 (E_RNA)
where:
Base-Base interactions energy: -765.626
where: short stacking energy: -305.470
Base-Backbone interact. energy: -2.135
local terms energy: -322.348816
where:
bonds (distance) C4'-P energy: -67.883
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -70.459
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -75.550
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1195.582269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.582269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.782269 (E_RNA)
where:
Base-Base interactions energy: -672.767
where: short stacking energy: -271.477
Base-Backbone interact. energy: 0.040
local terms energy: -323.054962
where:
bonds (distance) C4'-P energy: -73.275
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -65.351
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1205.168394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.168394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.568394 (E_RNA)
where:
Base-Base interactions energy: -712.794
where: short stacking energy: -286.982
Base-Backbone interact. energy: -1.167
local terms energy: -280.608092
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -65.045
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1141.243233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.243233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.243233 (E_RNA)
where:
Base-Base interactions energy: -656.111
where: short stacking energy: -259.331
Base-Backbone interact. energy: 4.349
local terms energy: -291.481705
where:
bonds (distance) C4'-P energy: -55.062
bonds (distance) P-C4' energy: -60.766
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -68.438
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1031.074913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.074913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.874913 (E_RNA)
where:
Base-Base interactions energy: -587.638
where: short stacking energy: -240.424
Base-Backbone interact. energy: 1.488
local terms energy: -266.724977
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -65.665
flat angles C4'-P-C4' energy: -63.039
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -936.413625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.413625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.413625 (E_RNA)
where:
Base-Base interactions energy: -531.322
where: short stacking energy: -219.248
Base-Backbone interact. energy: -2.397
local terms energy: -249.694787
where:
bonds (distance) C4'-P energy: -67.663
bonds (distance) P-C4' energy: -60.448
flat angles C4'-P-C4' energy: -53.740
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -42.846
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1455.280321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.280321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.080321 (E_RNA)
where:
Base-Base interactions energy: -871.439
where: short stacking energy: -356.989
Base-Backbone interact. energy: -2.425
local terms energy: -367.216319
where:
bonds (distance) C4'-P energy: -66.047
bonds (distance) P-C4' energy: -78.705
flat angles C4'-P-C4' energy: -81.702
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -92.696
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1403.673006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.673006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.273006 (E_RNA)
where:
Base-Base interactions energy: -832.437
where: short stacking energy: -332.142
Base-Backbone interact. energy: -4.348
local terms energy: -363.488391
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -75.777
flat angles C4'-P-C4' energy: -76.545
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -94.222
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1386.352337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.352337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.352337 (E_RNA)
where:
Base-Base interactions energy: -826.257
where: short stacking energy: -333.909
Base-Backbone interact. energy: -2.469
local terms energy: -341.626288
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -64.795
flat angles C4'-P-C4' energy: -83.824
flat angles P-C4'-P energy: -53.662
tors. eta vs tors. theta energy: -82.404
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1341.040062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.040062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.840062 (E_RNA)
where:
Base-Base interactions energy: -791.805
where: short stacking energy: -315.607
Base-Backbone interact. energy: -1.637
local terms energy: -333.397961
where:
bonds (distance) C4'-P energy: -69.265
bonds (distance) P-C4' energy: -73.059
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -45.876
tors. eta vs tors. theta energy: -82.528
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1311.813598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.813598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.413598 (E_RNA)
where:
Base-Base interactions energy: -777.226
where: short stacking energy: -321.611
Base-Backbone interact. energy: 1.570
local terms energy: -332.757441
where:
bonds (distance) C4'-P energy: -54.663
bonds (distance) P-C4' energy: -68.167
flat angles C4'-P-C4' energy: -74.513
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1200.106936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.106936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.506936 (E_RNA)
where:
Base-Base interactions energy: -680.213
where: short stacking energy: -281.913
Base-Backbone interact. energy: -2.185
local terms energy: -316.109224
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -69.064
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -73.529
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1185.051626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.051626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.651626 (E_RNA)
where:
Base-Base interactions energy: -669.499
where: short stacking energy: -274.677
Base-Backbone interact. energy: -0.157
local terms energy: -320.995226
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -63.486
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -76.399
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1193.283347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.283347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.083347 (E_RNA)
where:
Base-Base interactions energy: -681.320
where: short stacking energy: -260.435
Base-Backbone interact. energy: -1.056
local terms energy: -296.707642
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -67.123
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -66.955
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -960.896869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.896869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.096869 (E_RNA)
where:
Base-Base interactions energy: -524.383
where: short stacking energy: -208.966
Base-Backbone interact. energy: -0.964
local terms energy: -271.749663
where:
bonds (distance) C4'-P energy: -54.112
bonds (distance) P-C4' energy: -62.752
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -47.668
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1007.789021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.789021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.389021 (E_RNA)
where:
Base-Base interactions energy: -571.383
where: short stacking energy: -228.487
Base-Backbone interact. energy: -1.748
local terms energy: -258.258512
where:
bonds (distance) C4'-P energy: -58.643
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -57.796
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1463.621452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.621452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.621452 (E_RNA)
where:
Base-Base interactions energy: -873.752
where: short stacking energy: -360.541
Base-Backbone interact. energy: -2.144
local terms energy: -371.726122
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -84.039
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -92.789
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1415.196545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.196545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.996545 (E_RNA)
where:
Base-Base interactions energy: -839.794
where: short stacking energy: -347.319
Base-Backbone interact. energy: -1.707
local terms energy: -359.495391
where:
bonds (distance) C4'-P energy: -63.860
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -80.221
flat angles P-C4'-P energy: -53.034
tors. eta vs tors. theta energy: -93.189
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1362.837190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.837190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.237190 (E_RNA)
where:
Base-Base interactions energy: -811.424
where: short stacking energy: -328.092
Base-Backbone interact. energy: -1.498
local terms energy: -348.315874
where:
bonds (distance) C4'-P energy: -70.804
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -81.527
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -81.905
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1302.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.783054 (E_RNA)
where:
Base-Base interactions energy: -744.704
where: short stacking energy: -314.342
Base-Backbone interact. energy: -1.881
local terms energy: -342.197850
where:
bonds (distance) C4'-P energy: -73.132
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -48.352
tors. eta vs tors. theta energy: -76.259
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1305.488400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.488400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.088400 (E_RNA)
where:
Base-Base interactions energy: -760.308
where: short stacking energy: -320.572
Base-Backbone interact. energy: -1.774
local terms energy: -340.006776
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -75.929
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: -93.520
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1225.171605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.171605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.371605 (E_RNA)
where:
Base-Base interactions energy: -721.664
where: short stacking energy: -301.426
Base-Backbone interact. energy: -1.038
local terms energy: -302.669107
where:
bonds (distance) C4'-P energy: -64.192
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -71.666
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -66.523
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1183.439574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.439574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.639574 (E_RNA)
where:
Base-Base interactions energy: -693.366
where: short stacking energy: -292.849
Base-Backbone interact. energy: -2.576
local terms energy: -287.697744
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -65.126
flat angles C4'-P-C4' energy: -60.265
flat angles P-C4'-P energy: -38.960
tors. eta vs tors. theta energy: -74.896
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1156.152171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.152171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.352171 (E_RNA)
where:
Base-Base interactions energy: -644.265
where: short stacking energy: -256.383
Base-Backbone interact. energy: -0.426
local terms energy: -302.660503
where:
bonds (distance) C4'-P energy: -69.274
bonds (distance) P-C4' energy: -63.070
flat angles C4'-P-C4' energy: -69.910
flat angles P-C4'-P energy: -40.511
tors. eta vs tors. theta energy: -59.895
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -923.934638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.934638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.934638 (E_RNA)
where:
Base-Base interactions energy: -521.249
where: short stacking energy: -222.019
Base-Backbone interact. energy: 0.153
local terms energy: -258.838732
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -56.135
flat angles C4'-P-C4' energy: -58.551
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -46.225
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1022.606776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.606776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.006776 (E_RNA)
where:
Base-Base interactions energy: -580.070
where: short stacking energy: -235.968
Base-Backbone interact. energy: -1.548
local terms energy: -257.388913
where:
bonds (distance) C4'-P energy: -47.380
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -68.625
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1455.070149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.070149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.070149 (E_RNA)
where:
Base-Base interactions energy: -859.281
where: short stacking energy: -351.126
Base-Backbone interact. energy: 0.125
local terms energy: -379.913583
where:
bonds (distance) C4'-P energy: -67.503
bonds (distance) P-C4' energy: -72.477
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -58.376
tors. eta vs tors. theta energy: -96.824
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1427.259951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.259951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.259951 (E_RNA)
where:
Base-Base interactions energy: -854.428
where: short stacking energy: -359.741
Base-Backbone interact. energy: -1.995
local terms energy: -354.837126
where:
bonds (distance) C4'-P energy: -64.986
bonds (distance) P-C4' energy: -59.807
flat angles C4'-P-C4' energy: -72.678
flat angles P-C4'-P energy: -61.096
tors. eta vs tors. theta energy: -96.269
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1389.929277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.929277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.329277 (E_RNA)
where:
Base-Base interactions energy: -826.747
where: short stacking energy: -335.202
Base-Backbone interact. energy: -2.283
local terms energy: -359.299413
where:
bonds (distance) C4'-P energy: -72.948
bonds (distance) P-C4' energy: -70.815
flat angles C4'-P-C4' energy: -77.230
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -88.074
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1294.367879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.367879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.367879 (E_RNA)
where:
Base-Base interactions energy: -769.793
where: short stacking energy: -296.670
Base-Backbone interact. energy: 11.152
local terms energy: -319.726964
where:
bonds (distance) C4'-P energy: -69.127
bonds (distance) P-C4' energy: -59.604
flat angles C4'-P-C4' energy: -74.682
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -74.914
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1316.238514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.238514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.238514 (E_RNA)
where:
Base-Base interactions energy: -770.243
where: short stacking energy: -309.082
Base-Backbone interact. energy: -0.856
local terms energy: -338.139836
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -58.148
flat angles C4'-P-C4' energy: -75.358
flat angles P-C4'-P energy: -58.161
tors. eta vs tors. theta energy: -89.064
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1226.529266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.529266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.729266 (E_RNA)
where:
Base-Base interactions energy: -709.395
where: short stacking energy: -285.520
Base-Backbone interact. energy: 4.219
local terms energy: -321.553309
where:
bonds (distance) C4'-P energy: -60.094
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -77.360
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -69.875
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1207.478777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.478777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.278777 (E_RNA)
where:
Base-Base interactions energy: -684.871
where: short stacking energy: -264.710
Base-Backbone interact. energy: -1.868
local terms energy: -306.539820
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -68.296
flat angles C4'-P-C4' energy: -70.512
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -62.587
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1129.187364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.187364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.187364 (E_RNA)
where:
Base-Base interactions energy: -643.980
where: short stacking energy: -241.347
Base-Backbone interact. energy: -2.253
local terms energy: -284.954293
where:
bonds (distance) C4'-P energy: -57.210
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -69.544
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -56.666
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1020.610140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.610140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.010140 (E_RNA)
where:
Base-Base interactions energy: -588.830
where: short stacking energy: -229.540
Base-Backbone interact. energy: -1.970
local terms energy: -246.210002
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -51.648
flat angles C4'-P-C4' energy: -76.104
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -882.869061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.869061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.869061 (E_RNA)
where:
Base-Base interactions energy: -486.274
where: short stacking energy: -204.779
Base-Backbone interact. energy: -0.034
local terms energy: -252.561483
where:
bonds (distance) C4'-P energy: -57.003
bonds (distance) P-C4' energy: -58.095
flat angles C4'-P-C4' energy: -51.021
flat angles P-C4'-P energy: -35.341
tors. eta vs tors. theta energy: -51.102
Dist. restrs. and SS energy: -144.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1459.556734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.556734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.556734 (E_RNA)
where:
Base-Base interactions energy: -866.382
where: short stacking energy: -352.496
Base-Backbone interact. energy: -1.768
local terms energy: -375.406105
where:
bonds (distance) C4'-P energy: -69.225
bonds (distance) P-C4' energy: -72.833
flat angles C4'-P-C4' energy: -86.165
flat angles P-C4'-P energy: -57.480
tors. eta vs tors. theta energy: -89.703
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1424.880659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.880659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.480659 (E_RNA)
where:
Base-Base interactions energy: -856.198
where: short stacking energy: -336.680
Base-Backbone interact. energy: -1.738
local terms energy: -354.545392
where:
bonds (distance) C4'-P energy: -70.610
bonds (distance) P-C4' energy: -73.719
flat angles C4'-P-C4' energy: -77.155
flat angles P-C4'-P energy: -54.895
tors. eta vs tors. theta energy: -78.166
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1376.475972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.475972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.075972 (E_RNA)
where:
Base-Base interactions energy: -820.329
where: short stacking energy: -318.943
Base-Backbone interact. energy: -2.024
local terms energy: -350.723613
where:
bonds (distance) C4'-P energy: -66.901
bonds (distance) P-C4' energy: -72.155
flat angles C4'-P-C4' energy: -75.727
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -86.906
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1369.936020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.936020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.536020 (E_RNA)
where:
Base-Base interactions energy: -803.916
where: short stacking energy: -327.655
Base-Backbone interact. energy: 2.472
local terms energy: -365.091233
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -63.188
flat angles C4'-P-C4' energy: -79.930
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -98.601
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1239.086576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.086576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.886576 (E_RNA)
where:
Base-Base interactions energy: -715.401
where: short stacking energy: -282.274
Base-Backbone interact. energy: -1.361
local terms energy: -308.124230
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -55.699
flat angles C4'-P-C4' energy: -73.450
flat angles P-C4'-P energy: -54.441
tors. eta vs tors. theta energy: -64.132
Dist. restrs. and SS energy: -214.200 (S_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: 363
Temperature: 1.150000
Total energy: -1221.700429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.700429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.100429 (E_RNA)
where:
Base-Base interactions energy: -691.947
where: short stacking energy: -272.129
Base-Backbone interact. energy: -2.201
local terms energy: -334.952364
where:
bonds (distance) C4'-P energy: -67.826
bonds (distance) P-C4' energy: -71.955
flat angles C4'-P-C4' energy: -82.948
flat angles P-C4'-P energy: -44.354
tors. eta vs tors. theta energy: -67.869
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1181.783327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.783327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.183327 (E_RNA)
where:
Base-Base interactions energy: -670.071
where: short stacking energy: -261.382
Base-Backbone interact. energy: 0.161
local terms energy: -301.273265
where:
bonds (distance) C4'-P energy: -49.920
bonds (distance) P-C4' energy: -71.083
flat angles C4'-P-C4' energy: -73.752
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -60.254
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1107.417040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.417040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.017040 (E_RNA)
where:
Base-Base interactions energy: -610.074
where: short stacking energy: -265.913
Base-Backbone interact. energy: -0.438
local terms energy: -302.504951
where:
bonds (distance) C4'-P energy: -64.292
bonds (distance) P-C4' energy: -60.329
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -58.337
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1052.845746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.845746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.245746 (E_RNA)
where:
Base-Base interactions energy: -575.313
where: short stacking energy: -224.831
Base-Backbone interact. energy: -3.464
local terms energy: -290.468659
where:
bonds (distance) C4'-P energy: -63.151
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -74.763
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -54.447
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -901.812280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.812280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.412280 (E_RNA)
where:
Base-Base interactions energy: -499.089
where: short stacking energy: -199.705
Base-Backbone interact. energy: -1.409
local terms energy: -242.914657
where:
bonds (distance) C4'-P energy: -57.248
bonds (distance) P-C4' energy: -56.320
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -35.524
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1446.322337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.322337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.522337 (E_RNA)
where:
Base-Base interactions energy: -857.996
where: short stacking energy: -356.957
Base-Backbone interact. energy: -0.903
local terms energy: -369.623628
where:
bonds (distance) C4'-P energy: -75.640
bonds (distance) P-C4' energy: -74.196
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -96.635
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1443.994762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.994762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.794762 (E_RNA)
where:
Base-Base interactions energy: -865.461
where: short stacking energy: -357.521
Base-Backbone interact. energy: 0.066
local terms energy: -364.399193
where:
bonds (distance) C4'-P energy: -68.817
bonds (distance) P-C4' energy: -66.400
flat angles C4'-P-C4' energy: -82.038
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -86.864
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1389.392058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.392058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.992058 (E_RNA)
where:
Base-Base interactions energy: -823.458
where: short stacking energy: -331.737
Base-Backbone interact. energy: 1.249
local terms energy: -363.783366
where:
bonds (distance) C4'-P energy: -78.051
bonds (distance) P-C4' energy: -68.105
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -89.730
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1371.326933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.326933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.326933 (E_RNA)
where:
Base-Base interactions energy: -818.109
where: short stacking energy: -348.033
Base-Backbone interact. energy: 0.711
local terms energy: -346.929490
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -73.514
flat angles C4'-P-C4' energy: -70.984
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: -92.086
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1308.764792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.764792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.164792 (E_RNA)
where:
Base-Base interactions energy: -778.144
where: short stacking energy: -311.945
Base-Backbone interact. energy: -1.298
local terms energy: -318.722691
where:
bonds (distance) C4'-P energy: -69.972
bonds (distance) P-C4' energy: -68.505
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -35.647
tors. eta vs tors. theta energy: -78.246
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1244.333105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.333105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.733105 (E_RNA)
where:
Base-Base interactions energy: -718.856
where: short stacking energy: -302.039
Base-Backbone interact. energy: -0.147
local terms energy: -323.730143
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -51.192
flat angles C4'-P-C4' energy: -67.372
flat angles P-C4'-P energy: -57.063
tors. eta vs tors. theta energy: -82.906
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1200.388402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.388402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.188402 (E_RNA)
where:
Base-Base interactions energy: -696.652
where: short stacking energy: -259.254
Base-Backbone interact. energy: -0.204
local terms energy: -289.332674
where:
bonds (distance) C4'-P energy: -61.505
bonds (distance) P-C4' energy: -66.231
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -56.928
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1161.863791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.863791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.663791 (E_RNA)
where:
Base-Base interactions energy: -670.111
where: short stacking energy: -283.200
Base-Backbone interact. energy: 0.895
local terms energy: -296.447829
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -72.259
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -54.955
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1030.822479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.822479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.422479 (E_RNA)
where:
Base-Base interactions energy: -572.115
where: short stacking energy: -229.180
Base-Backbone interact. energy: -1.298
local terms energy: -272.010289
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -66.129
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -47.084
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -933.840981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.840981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.840981 (E_RNA)
where:
Base-Base interactions energy: -525.070
where: short stacking energy: -218.021
Base-Backbone interact. energy: -0.315
local terms energy: -246.456087
where:
bonds (distance) C4'-P energy: -57.293
bonds (distance) P-C4' energy: -48.872
flat angles C4'-P-C4' energy: -62.131
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -35.713
Dist. restrs. and SS energy: -162.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1432.803715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.803715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.803715 (E_RNA)
where:
Base-Base interactions energy: -835.896
where: short stacking energy: -345.149
Base-Backbone interact. energy: -3.522
local terms energy: -377.385514
where:
bonds (distance) C4'-P energy: -82.058
bonds (distance) P-C4' energy: -75.842
flat angles C4'-P-C4' energy: -78.385
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -88.908
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1412.487091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.487091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.687091 (E_RNA)
where:
Base-Base interactions energy: -847.137
where: short stacking energy: -332.470
Base-Backbone interact. energy: -1.366
local terms energy: -346.184266
where:
bonds (distance) C4'-P energy: -58.629
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -84.725
flat angles P-C4'-P energy: -57.141
tors. eta vs tors. theta energy: -79.389
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. 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: -1367.714437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.714437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.914437 (E_RNA)
where:
Base-Base interactions energy: -803.263
where: short stacking energy: -330.266
Base-Backbone interact. energy: -2.556
local terms energy: -362.094567
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -66.069
flat angles C4'-P-C4' energy: -82.713
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -84.626
Dist. restrs. and SS energy: -199.800 (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: 365
Temperature: 1.050000
Total energy: -1342.752127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.752127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.752127 (E_RNA)
where:
Base-Base interactions energy: -788.623
where: short stacking energy: -332.148
Base-Backbone interact. energy: 3.273
local terms energy: -350.401936
where:
bonds (distance) C4'-P energy: -67.381
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -74.904
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -87.075
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1289.097746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.097746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.897746 (E_RNA)
where:
Base-Base interactions energy: -744.472
where: short stacking energy: -301.995
Base-Backbone interact. energy: 0.995
local terms energy: -331.421557
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -72.695
flat angles C4'-P-C4' energy: -76.846
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -80.744
Dist. restrs. and SS energy: -214.200 (S_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: 365
Temperature: 1.150000
Total energy: -1231.367506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.367506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.567506 (E_RNA)
where:
Base-Base interactions energy: -731.039
where: short stacking energy: -295.497
Base-Backbone interact. energy: -1.911
local terms energy: -298.617637
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -63.072
flat angles C4'-P-C4' energy: -73.681
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -75.430
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1226.052210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.052210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.852210 (E_RNA)
where:
Base-Base interactions energy: -705.784
where: short stacking energy: -295.443
Base-Backbone interact. energy: -1.237
local terms energy: -313.831783
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -58.279
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -51.902
tors. eta vs tors. theta energy: -72.490
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1112.126792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.126792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.526792 (E_RNA)
where:
Base-Base interactions energy: -616.924
where: short stacking energy: -248.612
Base-Backbone interact. energy: -1.173
local terms energy: -292.429602
where:
bonds (distance) C4'-P energy: -63.740
bonds (distance) P-C4' energy: -62.948
flat angles C4'-P-C4' energy: -70.922
flat angles P-C4'-P energy: -32.267
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: -201.600 (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: 365
Temperature: 1.300000
Total energy: -1053.409329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.409329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.809329 (E_RNA)
where:
Base-Base interactions energy: -584.331
where: short stacking energy: -231.333
Base-Backbone interact. energy: -2.513
local terms energy: -282.965390
where:
bonds (distance) C4'-P energy: -63.674
bonds (distance) P-C4' energy: -61.711
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -52.615
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -875.099053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.899053 (E_RNA)
where:
Base-Base interactions energy: -465.100
where: short stacking energy: -191.180
Base-Backbone interact. energy: -0.684
local terms energy: -258.115261
where:
bonds (distance) C4'-P energy: -61.454
bonds (distance) P-C4' energy: -77.759
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1443.675188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.675188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.275188 (E_RNA)
where:
Base-Base interactions energy: -841.448
where: short stacking energy: -340.917
Base-Backbone interact. energy: -4.408
local terms energy: -385.418883
where:
bonds (distance) C4'-P energy: -77.705
bonds (distance) P-C4' energy: -83.509
flat angles C4'-P-C4' energy: -86.601
flat angles P-C4'-P energy: -48.747
tors. eta vs tors. theta energy: -88.857
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1422.088990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.088990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.888990 (E_RNA)
where:
Base-Base interactions energy: -841.841
where: short stacking energy: -325.489
Base-Backbone interact. energy: -2.731
local terms energy: -363.316808
where:
bonds (distance) C4'-P energy: -72.709
bonds (distance) P-C4' energy: -71.468
flat angles C4'-P-C4' energy: -87.343
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -87.920
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1363.537080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.537080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.137080 (E_RNA)
where:
Base-Base interactions energy: -815.484
where: short stacking energy: -325.608
Base-Backbone interact. energy: -0.223
local terms energy: -344.430874
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -76.355
flat angles P-C4'-P energy: -56.485
tors. eta vs tors. theta energy: -87.589
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1352.905740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.905740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.905740 (E_RNA)
where:
Base-Base interactions energy: -796.271
where: short stacking energy: -333.835
Base-Backbone interact. energy: -1.862
local terms energy: -347.772639
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -60.603
flat angles C4'-P-C4' energy: -84.631
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: -83.763
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1278.570877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.570877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.570877 (E_RNA)
where:
Base-Base interactions energy: -740.702
where: short stacking energy: -310.315
Base-Backbone interact. energy: 0.495
local terms energy: -322.364050
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -73.640
flat angles P-C4'-P energy: -32.159
tors. eta vs tors. theta energy: -85.311
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1229.235985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.235985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.635985 (E_RNA)
where:
Base-Base interactions energy: -720.194
where: short stacking energy: -296.924
Base-Backbone interact. energy: -2.162
local terms energy: -305.279588
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -62.743
flat angles P-C4'-P energy: -56.061
tors. eta vs tors. theta energy: -64.026
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1146.510078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.510078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.310078 (E_RNA)
where:
Base-Base interactions energy: -654.329
where: short stacking energy: -274.291
Base-Backbone interact. energy: -2.282
local terms energy: -293.699797
where:
bonds (distance) C4'-P energy: -68.325
bonds (distance) P-C4' energy: -57.887
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -57.563
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1185.140318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.140318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.940318 (E_RNA)
where:
Base-Base interactions energy: -668.172
where: short stacking energy: -250.719
Base-Backbone interact. energy: -2.662
local terms energy: -300.106918
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -62.807
flat angles C4'-P-C4' energy: -75.776
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -64.316
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1108.024689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.024689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.224689 (E_RNA)
where:
Base-Base interactions energy: -639.678
where: short stacking energy: -256.339
Base-Backbone interact. energy: -1.737
local terms energy: -284.810134
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -63.087
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -35.603
tors. eta vs tors. theta energy: -57.957
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -869.446134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.446134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.846134 (E_RNA)
where:
Base-Base interactions energy: -459.911
where: short stacking energy: -205.132
Base-Backbone interact. energy: -1.337
local terms energy: -269.598387
where:
bonds (distance) C4'-P energy: -56.447
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -81.853
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: -138.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1449.050120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.050120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.050120 (E_RNA)
where:
Base-Base interactions energy: -858.955
where: short stacking energy: -348.731
Base-Backbone interact. energy: -3.717
local terms energy: -370.377758
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -72.525
flat angles C4'-P-C4' energy: -78.053
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -89.964
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1418.172084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.172084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.972084 (E_RNA)
where:
Base-Base interactions energy: -846.123
where: short stacking energy: -331.835
Base-Backbone interact. energy: -1.617
local terms energy: -356.232405
where:
bonds (distance) C4'-P energy: -71.909
bonds (distance) P-C4' energy: -67.010
flat angles C4'-P-C4' energy: -80.177
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -86.904
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1401.580944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.580944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.180944 (E_RNA)
where:
Base-Base interactions energy: -828.741
where: short stacking energy: -341.443
Base-Backbone interact. energy: -1.483
local terms energy: -367.956888
where:
bonds (distance) C4'-P energy: -65.709
bonds (distance) P-C4' energy: -69.779
flat angles C4'-P-C4' energy: -82.332
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -91.684
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1336.808920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.608920 (E_RNA)
where:
Base-Base interactions energy: -796.520
where: short stacking energy: -311.909
Base-Backbone interact. energy: -2.928
local terms energy: -332.160939
where:
bonds (distance) C4'-P energy: -71.149
bonds (distance) P-C4' energy: -62.717
flat angles C4'-P-C4' energy: -73.900
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -85.785
Dist. restrs. and SS energy: -205.200 (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: 367
Temperature: 1.100000
Total energy: -1296.088177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.088177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.888177 (E_RNA)
where:
Base-Base interactions energy: -765.230
where: short stacking energy: -301.811
Base-Backbone interact. energy: -2.906
local terms energy: -313.752175
where:
bonds (distance) C4'-P energy: -66.503
bonds (distance) P-C4' energy: -56.642
flat angles C4'-P-C4' energy: -73.778
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: -76.268
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1190.357538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.357538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.157538 (E_RNA)
where:
Base-Base interactions energy: -669.023
where: short stacking energy: -281.871
Base-Backbone interact. energy: 1.163
local terms energy: -326.296843
where:
bonds (distance) C4'-P energy: -66.027
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -76.666
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1169.774109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.774109 (E_RNA)
where:
Base-Base interactions energy: -665.221
where: short stacking energy: -275.028
Base-Backbone interact. energy: -0.242
local terms energy: -306.310900
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -57.273
flat angles C4'-P-C4' energy: -73.635
flat angles P-C4'-P energy: -48.865
tors. eta vs tors. theta energy: -62.455
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1153.817797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.817797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.417797 (E_RNA)
where:
Base-Base interactions energy: -666.717
where: short stacking energy: -275.906
Base-Backbone interact. energy: -3.099
local terms energy: -271.601782
where:
bonds (distance) C4'-P energy: -59.194
bonds (distance) P-C4' energy: -48.102
flat angles C4'-P-C4' energy: -66.007
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -65.531
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1082.581398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.581398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.181398 (E_RNA)
where:
Base-Base interactions energy: -620.409
where: short stacking energy: -250.547
Base-Backbone interact. energy: -2.619
local terms energy: -274.153146
where:
bonds (distance) C4'-P energy: -50.108
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -58.871
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -920.669184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.669184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.469184 (E_RNA)
where:
Base-Base interactions energy: -511.741
where: short stacking energy: -196.877
Base-Backbone interact. energy: 1.216
local terms energy: -249.944716
where:
bonds (distance) C4'-P energy: -68.795
bonds (distance) P-C4' energy: -57.007
flat angles C4'-P-C4' energy: -47.053
flat angles P-C4'-P energy: -40.678
tors. eta vs tors. theta energy: -36.412
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1463.976265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.976265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.776265 (E_RNA)
where:
Base-Base interactions energy: -877.941
where: short stacking energy: -362.156
Base-Backbone interact. energy: -5.945
local terms energy: -365.890341
where:
bonds (distance) C4'-P energy: -67.398
bonds (distance) P-C4' energy: -75.467
flat angles C4'-P-C4' energy: -78.472
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -88.287
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1413.520671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.520671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.720671 (E_RNA)
where:
Base-Base interactions energy: -844.312
where: short stacking energy: -311.909
Base-Backbone interact. energy: 0.798
local terms energy: -352.206082
where:
bonds (distance) C4'-P energy: -69.158
bonds (distance) P-C4' energy: -79.265
flat angles C4'-P-C4' energy: -78.226
flat angles P-C4'-P energy: -46.529
tors. eta vs tors. theta energy: -79.027
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1398.971523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.971523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.371523 (E_RNA)
where:
Base-Base interactions energy: -839.451
where: short stacking energy: -346.257
Base-Backbone interact. energy: -0.694
local terms energy: -357.226910
where:
bonds (distance) C4'-P energy: -73.991
bonds (distance) P-C4' energy: -56.665
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -50.936
tors. eta vs tors. theta energy: -99.810
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1354.856915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.856915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.856915 (E_RNA)
where:
Base-Base interactions energy: -799.726
where: short stacking energy: -322.887
Base-Backbone interact. energy: -0.571
local terms energy: -347.560140
where:
bonds (distance) C4'-P energy: -62.589
bonds (distance) P-C4' energy: -73.408
flat angles C4'-P-C4' energy: -73.618
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -86.329
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1303.794080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.794080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.594080 (E_RNA)
where:
Base-Base interactions energy: -765.351
where: short stacking energy: -315.027
Base-Backbone interact. energy: -3.697
local terms energy: -320.546210
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -88.270
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1193.709800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.709800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.909800 (E_RNA)
where:
Base-Base interactions energy: -684.714
where: short stacking energy: -273.941
Base-Backbone interact. energy: -1.950
local terms energy: -307.245786
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -77.432
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -57.731
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1178.961989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.961989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.561989 (E_RNA)
where:
Base-Base interactions energy: -674.451
where: short stacking energy: -270.424
Base-Backbone interact. energy: 2.584
local terms energy: -294.695386
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -76.390
flat angles P-C4'-P energy: -38.670
tors. eta vs tors. theta energy: -66.104
Dist. restrs. and SS energy: -212.400 (S_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: 368
Temperature: 1.250000
Total energy: -1182.155846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.155846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.355846 (E_RNA)
where:
Base-Base interactions energy: -685.455
where: short stacking energy: -280.832
Base-Backbone interact. energy: -0.694
local terms energy: -296.207257
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -59.479
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -72.206
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1055.426847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.426847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.826847 (E_RNA)
where:
Base-Base interactions energy: -613.016
where: short stacking energy: -243.575
Base-Backbone interact. energy: -3.138
local terms energy: -255.672846
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -65.723
flat angles C4'-P-C4' energy: -55.788
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -49.332
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -951.721618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.721618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.921618 (E_RNA)
where:
Base-Base interactions energy: -533.114
where: short stacking energy: -197.502
Base-Backbone interact. energy: -1.669
local terms energy: -253.138057
where:
bonds (distance) C4'-P energy: -58.864
bonds (distance) P-C4' energy: -65.597
flat angles C4'-P-C4' energy: -68.044
flat angles P-C4'-P energy: -23.758
tors. eta vs tors. theta energy: -36.875
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1482.864429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.864429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.664429 (E_RNA)
where:
Base-Base interactions energy: -883.382
where: short stacking energy: -351.033
Base-Backbone interact. energy: -3.810
local terms energy: -381.472960
where:
bonds (distance) C4'-P energy: -69.724
bonds (distance) P-C4' energy: -78.025
flat angles C4'-P-C4' energy: -79.886
flat angles P-C4'-P energy: -54.523
tors. eta vs tors. theta energy: -99.315
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1408.190555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.190555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.990555 (E_RNA)
where:
Base-Base interactions energy: -843.983
where: short stacking energy: -337.052
Base-Backbone interact. energy: -1.310
local terms energy: -357.697640
where:
bonds (distance) C4'-P energy: -67.650
bonds (distance) P-C4' energy: -71.377
flat angles C4'-P-C4' energy: -83.577
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -93.776
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1424.500326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.500326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.700326 (E_RNA)
where:
Base-Base interactions energy: -842.567
where: short stacking energy: -329.319
Base-Backbone interact. energy: -1.370
local terms energy: -362.763309
where:
bonds (distance) C4'-P energy: -64.905
bonds (distance) P-C4' energy: -81.848
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -53.519
tors. eta vs tors. theta energy: -84.729
Dist. restrs. and SS energy: -217.800 (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: 369
Temperature: 1.050000
Total energy: -1353.607057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.607057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.007057 (E_RNA)
where:
Base-Base interactions energy: -795.941
where: short stacking energy: -318.663
Base-Backbone interact. energy: 0.564
local terms energy: -356.629645
where:
bonds (distance) C4'-P energy: -61.853
bonds (distance) P-C4' energy: -66.664
flat angles C4'-P-C4' energy: -83.448
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -87.800
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1306.020078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.020078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.620078 (E_RNA)
where:
Base-Base interactions energy: -760.114
where: short stacking energy: -313.241
Base-Backbone interact. energy: -0.740
local terms energy: -332.765666
where:
bonds (distance) C4'-P energy: -57.899
bonds (distance) P-C4' energy: -80.203
flat angles C4'-P-C4' energy: -72.847
flat angles P-C4'-P energy: -48.559
tors. eta vs tors. theta energy: -73.258
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1202.810726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.810726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.610726 (E_RNA)
where:
Base-Base interactions energy: -672.276
where: short stacking energy: -270.142
Base-Backbone interact. energy: -1.636
local terms energy: -323.698648
where:
bonds (distance) C4'-P energy: -74.883
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -62.109
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1152.679498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.479498 (E_RNA)
where:
Base-Base interactions energy: -652.273
where: short stacking energy: -266.132
Base-Backbone interact. energy: -1.133
local terms energy: -303.073349
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -69.364
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -51.729
tors. eta vs tors. theta energy: -61.247
Dist. restrs. and SS energy: -196.200 (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: 369
Temperature: 1.250000
Total energy: -1168.296846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.296846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.096846 (E_RNA)
where:
Base-Base interactions energy: -696.649
where: short stacking energy: -279.767
Base-Backbone interact. energy: -2.391
local terms energy: -273.056282
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -50.758
flat angles C4'-P-C4' energy: -68.040
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -68.153
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1064.681454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.681454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.281454 (E_RNA)
where:
Base-Base interactions energy: -620.723
where: short stacking energy: -227.521
Base-Backbone interact. energy: -1.412
local terms energy: -257.146669
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -62.893
flat angles C4'-P-C4' energy: -57.270
flat angles P-C4'-P energy: -37.242
tors. eta vs tors. theta energy: -48.184
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -948.693054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.693054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.293054 (E_RNA)
where:
Base-Base interactions energy: -538.474
where: short stacking energy: -211.111
Base-Backbone interact. energy: -0.252
local terms energy: -251.566901
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -59.941
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1464.450054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.650054 (E_RNA)
where:
Base-Base interactions energy: -885.384
where: short stacking energy: -358.455
Base-Backbone interact. energy: -3.725
local terms energy: -357.540249
where:
bonds (distance) C4'-P energy: -71.281
bonds (distance) P-C4' energy: -68.369
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -89.668
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1402.946289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.946289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.546289 (E_RNA)
where:
Base-Base interactions energy: -841.857
where: short stacking energy: -339.536
Base-Backbone interact. energy: 5.931
local terms energy: -363.619976
where:
bonds (distance) C4'-P energy: -67.866
bonds (distance) P-C4' energy: -65.418
flat angles C4'-P-C4' energy: -80.832
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -92.968
Dist. restrs. and SS energy: -203.400 (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: 370
Temperature: 1.000000
Total energy: -1394.994772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.994772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.394772 (E_RNA)
where:
Base-Base interactions energy: -825.032
where: short stacking energy: -340.011
Base-Backbone interact. energy: 3.944
local terms energy: -372.307021
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -77.113
flat angles C4'-P-C4' energy: -79.863
flat angles P-C4'-P energy: -57.912
tors. eta vs tors. theta energy: -92.841
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1371.590026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.590026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.790026 (E_RNA)
where:
Base-Base interactions energy: -812.842
where: short stacking energy: -339.404
Base-Backbone interact. energy: -0.674
local terms energy: -340.273860
where:
bonds (distance) C4'-P energy: -60.105
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -66.289
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: -89.108
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1280.938588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.938588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.738588 (E_RNA)
where:
Base-Base interactions energy: -745.913
where: short stacking energy: -303.396
Base-Backbone interact. energy: -2.425
local terms energy: -318.400764
where:
bonds (distance) C4'-P energy: -66.186
bonds (distance) P-C4' energy: -65.340
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -44.046
tors. eta vs tors. theta energy: -73.386
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1237.283873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.283873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.083873 (E_RNA)
where:
Base-Base interactions energy: -706.343
where: short stacking energy: -301.002
Base-Backbone interact. energy: 3.216
local terms energy: -319.956612
where:
bonds (distance) C4'-P energy: -53.272
bonds (distance) P-C4' energy: -70.863
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -53.213
tors. eta vs tors. theta energy: -78.317
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1205.629915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.629915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.829915 (E_RNA)
where:
Base-Base interactions energy: -679.346
where: short stacking energy: -267.518
Base-Backbone interact. energy: -1.712
local terms energy: -324.771693
where:
bonds (distance) C4'-P energy: -73.117
bonds (distance) P-C4' energy: -66.514
flat angles C4'-P-C4' energy: -76.064
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -62.863
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1160.652960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.652960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.452960 (E_RNA)
where:
Base-Base interactions energy: -689.960
where: short stacking energy: -296.792
Base-Backbone interact. energy: -1.762
local terms energy: -272.731492
where:
bonds (distance) C4'-P energy: -58.262
bonds (distance) P-C4' energy: -61.058
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -64.607
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1066.829509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.829509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.029509 (E_RNA)
where:
Base-Base interactions energy: -613.982
where: short stacking energy: -261.030
Base-Backbone interact. energy: -2.144
local terms energy: -277.904080
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -66.519
flat angles P-C4'-P energy: -38.012
tors. eta vs tors. theta energy: -56.396
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -945.965728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.965728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.765728 (E_RNA)
where:
Base-Base interactions energy: -548.529
where: short stacking energy: -228.042
Base-Backbone interact. energy: 1.245
local terms energy: -238.481599
where:
bonds (distance) C4'-P energy: -57.829
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -40.513
tors. eta vs tors. theta energy: -44.741
Dist. restrs. and SS energy: -160.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1470.111629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.111629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.311629 (E_RNA)
where:
Base-Base interactions energy: -875.952
where: short stacking energy: -370.814
Base-Backbone interact. energy: 2.069
local terms energy: -378.429006
where:
bonds (distance) C4'-P energy: -74.572
bonds (distance) P-C4' energy: -71.393
flat angles C4'-P-C4' energy: -84.268
flat angles P-C4'-P energy: -56.321
tors. eta vs tors. theta energy: -91.875
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1388.912075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.912075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.712075 (E_RNA)
where:
Base-Base interactions energy: -824.457
where: short stacking energy: -338.407
Base-Backbone interact. energy: -1.090
local terms energy: -358.165020
where:
bonds (distance) C4'-P energy: -68.903
bonds (distance) P-C4' energy: -73.168
flat angles C4'-P-C4' energy: -75.871
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -91.812
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1361.225545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.225545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.225545 (E_RNA)
where:
Base-Base interactions energy: -791.536
where: short stacking energy: -321.815
Base-Backbone interact. energy: -1.379
local terms energy: -361.310249
where:
bonds (distance) C4'-P energy: -75.206
bonds (distance) P-C4' energy: -73.987
flat angles C4'-P-C4' energy: -68.725
flat angles P-C4'-P energy: -54.333
tors. eta vs tors. theta energy: -89.059
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1361.109133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.109133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.109133 (E_RNA)
where:
Base-Base interactions energy: -811.480
where: short stacking energy: -326.905
Base-Backbone interact. energy: 1.756
local terms energy: -335.385353
where:
bonds (distance) C4'-P energy: -67.842
bonds (distance) P-C4' energy: -71.005
flat angles C4'-P-C4' energy: -57.615
flat angles P-C4'-P energy: -49.087
tors. eta vs tors. theta energy: -89.836
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1274.494499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.494499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.494499 (E_RNA)
where:
Base-Base interactions energy: -733.719
where: short stacking energy: -303.196
Base-Backbone interact. energy: -1.261
local terms energy: -323.514553
where:
bonds (distance) C4'-P energy: -60.530
bonds (distance) P-C4' energy: -66.564
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -51.125
tors. eta vs tors. theta energy: -72.183
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1212.845099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.845099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.645099 (E_RNA)
where:
Base-Base interactions energy: -697.754
where: short stacking energy: -270.394
Base-Backbone interact. energy: 1.456
local terms energy: -302.347115
where:
bonds (distance) C4'-P energy: -50.005
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -66.632
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1214.120087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.120087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.920087 (E_RNA)
where:
Base-Base interactions energy: -694.963
where: short stacking energy: -279.258
Base-Backbone interact. energy: -2.024
local terms energy: -320.932988
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -64.270
flat angles P-C4'-P energy: -48.176
tors. eta vs tors. theta energy: -77.432
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1127.215019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.215019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.615019 (E_RNA)
where:
Base-Base interactions energy: -642.778
where: short stacking energy: -244.985
Base-Backbone interact. energy: -2.538
local terms energy: -280.299265
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -57.546
flat angles C4'-P-C4' energy: -69.793
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -62.913
Dist. restrs. and SS energy: -201.600 (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: 371
Temperature: 1.300000
Total energy: -1058.811032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.811032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.011032 (E_RNA)
where:
Base-Base interactions energy: -608.137
where: short stacking energy: -249.243
Base-Backbone interact. energy: -0.631
local terms energy: -268.243499
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -45.841
tors. eta vs tors. theta energy: -51.286
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -926.630802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.630802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.030802 (E_RNA)
where:
Base-Base interactions energy: -493.334
where: short stacking energy: -201.500
Base-Backbone interact. energy: 2.264
local terms energy: -269.961381
where:
bonds (distance) C4'-P energy: -62.183
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -63.255
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -54.919
Dist. restrs. and SS energy: -165.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1465.821998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.821998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.621998 (E_RNA)
where:
Base-Base interactions energy: -855.783
where: short stacking energy: -367.965
Base-Backbone interact. energy: -1.383
local terms energy: -394.456493
where:
bonds (distance) C4'-P energy: -77.051
bonds (distance) P-C4' energy: -74.378
flat angles C4'-P-C4' energy: -84.498
flat angles P-C4'-P energy: -60.542
tors. eta vs tors. theta energy: -97.988
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1377.700638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.700638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.500638 (E_RNA)
where:
Base-Base interactions energy: -827.104
where: short stacking energy: -344.582
Base-Backbone interact. energy: -1.458
local terms energy: -343.938625
where:
bonds (distance) C4'-P energy: -66.621
bonds (distance) P-C4' energy: -63.674
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -52.535
tors. eta vs tors. theta energy: -93.508
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1385.915051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.915051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.515051 (E_RNA)
where:
Base-Base interactions energy: -816.719
where: short stacking energy: -336.127
Base-Backbone interact. energy: -1.531
local terms energy: -355.265179
where:
bonds (distance) C4'-P energy: -65.438
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -71.810
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -91.898
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1347.864192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.864192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.064192 (E_RNA)
where:
Base-Base interactions energy: -802.824
where: short stacking energy: -329.913
Base-Backbone interact. energy: 0.532
local terms energy: -336.772222
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -63.671
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -49.687
tors. eta vs tors. theta energy: -92.697
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1281.489388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.489388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.689388 (E_RNA)
where:
Base-Base interactions energy: -721.716
where: short stacking energy: -300.710
Base-Backbone interact. energy: -0.560
local terms energy: -350.413177
where:
bonds (distance) C4'-P energy: -76.400
bonds (distance) P-C4' energy: -68.969
flat angles C4'-P-C4' energy: -73.225
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -87.569
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1232.201258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.201258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.401258 (E_RNA)
where:
Base-Base interactions energy: -709.474
where: short stacking energy: -304.168
Base-Backbone interact. energy: -0.111
local terms energy: -313.816950
where:
bonds (distance) C4'-P energy: -65.534
bonds (distance) P-C4' energy: -57.801
flat angles C4'-P-C4' energy: -70.844
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1213.989432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.989432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.989432 (E_RNA)
where:
Base-Base interactions energy: -712.593
where: short stacking energy: -255.364
Base-Backbone interact. energy: -0.016
local terms energy: -303.380273
where:
bonds (distance) C4'-P energy: -59.257
bonds (distance) P-C4' energy: -67.719
flat angles C4'-P-C4' energy: -73.318
flat angles P-C4'-P energy: -48.752
tors. eta vs tors. theta energy: -54.334
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1137.303667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.303667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.503667 (E_RNA)
where:
Base-Base interactions energy: -656.268
where: short stacking energy: -255.548
Base-Backbone interact. energy: -5.322
local terms energy: -275.914371
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -65.905
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -62.005
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1053.071659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.071659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.671659 (E_RNA)
where:
Base-Base interactions energy: -571.491
where: short stacking energy: -228.803
Base-Backbone interact. energy: 0.516
local terms energy: -296.695930
where:
bonds (distance) C4'-P energy: -71.641
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -76.741
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -50.435
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -908.023903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.023903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.623903 (E_RNA)
where:
Base-Base interactions energy: -493.980
where: short stacking energy: -192.701
Base-Backbone interact. energy: -1.769
local terms energy: -253.875288
where:
bonds (distance) C4'-P energy: -61.270
bonds (distance) P-C4' energy: -50.878
flat angles C4'-P-C4' energy: -62.037
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -39.687
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1460.648368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.648368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.648368 (E_RNA)
where:
Base-Base interactions energy: -877.854
where: short stacking energy: -354.724
Base-Backbone interact. energy: -1.315
local terms energy: -365.479589
where:
bonds (distance) C4'-P energy: -78.429
bonds (distance) P-C4' energy: -73.066
flat angles C4'-P-C4' energy: -69.841
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -92.097
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1434.905174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.905174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.505174 (E_RNA)
where:
Base-Base interactions energy: -843.784
where: short stacking energy: -329.890
Base-Backbone interact. energy: -2.144
local terms energy: -376.578020
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -67.680
flat angles C4'-P-C4' energy: -85.644
flat angles P-C4'-P energy: -56.861
tors. eta vs tors. theta energy: -91.462
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1382.226028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.226028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.426028 (E_RNA)
where:
Base-Base interactions energy: -840.832
where: short stacking energy: -354.278
Base-Backbone interact. energy: -2.113
local terms energy: -339.480372
where:
bonds (distance) C4'-P energy: -68.002
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -72.941
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -99.445
Dist. restrs. and SS energy: -199.800 (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: 373
Temperature: 1.050000
Total energy: -1356.245837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.245837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.445837 (E_RNA)
where:
Base-Base interactions energy: -793.319
where: short stacking energy: -330.944
Base-Backbone interact. energy: -0.320
local terms energy: -353.807063
where:
bonds (distance) C4'-P energy: -63.702
bonds (distance) P-C4' energy: -74.886
flat angles C4'-P-C4' energy: -66.230
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -91.733
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1300.709877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.709877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.709877 (E_RNA)
where:
Base-Base interactions energy: -740.581
where: short stacking energy: -311.810
Base-Backbone interact. energy: 2.645
local terms energy: -346.774285
where:
bonds (distance) C4'-P energy: -69.085
bonds (distance) P-C4' energy: -71.286
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -82.552
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1222.185044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.185044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.785044 (E_RNA)
where:
Base-Base interactions energy: -695.355
where: short stacking energy: -279.806
Base-Backbone interact. energy: -1.635
local terms energy: -321.794985
where:
bonds (distance) C4'-P energy: -64.746
bonds (distance) P-C4' energy: -64.437
flat angles C4'-P-C4' energy: -71.909
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -72.432
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1191.839459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.439459 (E_RNA)
where:
Base-Base interactions energy: -680.216
where: short stacking energy: -274.063
Base-Backbone interact. energy: -0.337
local terms energy: -307.886579
where:
bonds (distance) C4'-P energy: -62.343
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -67.955
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -70.503
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1107.188624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.188624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.188624 (E_RNA)
where:
Base-Base interactions energy: -635.381
where: short stacking energy: -243.951
Base-Backbone interact. energy: -1.909
local terms energy: -289.898477
where:
bonds (distance) C4'-P energy: -65.777
bonds (distance) P-C4' energy: -64.143
flat angles C4'-P-C4' energy: -56.940
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -56.960
Dist. restrs. and SS energy: -180.000 (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: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1130.538961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.538961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.338961 (E_RNA)
where:
Base-Base interactions energy: -664.473
where: short stacking energy: -281.424
Base-Backbone interact. energy: -2.667
local terms energy: -267.199374
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -63.738
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: -66.393
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -938.045591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.045591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.445591 (E_RNA)
where:
Base-Base interactions energy: -550.980
where: short stacking energy: -224.212
Base-Backbone interact. energy: 4.434
local terms energy: -234.899494
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -30.092
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: -156.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1467.440601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.440601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.040601 (E_RNA)
where:
Base-Base interactions energy: -880.904
where: short stacking energy: -357.902
Base-Backbone interact. energy: -3.030
local terms energy: -371.106067
where:
bonds (distance) C4'-P energy: -72.551
bonds (distance) P-C4' energy: -76.098
flat angles C4'-P-C4' energy: -71.821
flat angles P-C4'-P energy: -63.049
tors. eta vs tors. theta energy: -87.588
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1449.977210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.977210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.377210 (E_RNA)
where:
Base-Base interactions energy: -885.597
where: short stacking energy: -340.493
Base-Backbone interact. energy: -0.570
local terms energy: -353.209992
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -72.833
flat angles C4'-P-C4' energy: -84.018
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -88.530
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1395.198831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.198831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.998831 (E_RNA)
where:
Base-Base interactions energy: -825.032
where: short stacking energy: -361.478
Base-Backbone interact. energy: -0.900
local terms energy: -364.066993
where:
bonds (distance) C4'-P energy: -67.097
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -81.380
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: -102.327
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1355.135020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.135020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.335020 (E_RNA)
where:
Base-Base interactions energy: -820.306
where: short stacking energy: -316.527
Base-Backbone interact. energy: -3.188
local terms energy: -331.841029
where:
bonds (distance) C4'-P energy: -59.304
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -68.198
flat angles P-C4'-P energy: -48.425
tors. eta vs tors. theta energy: -90.147
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1274.002168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.002168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.202168 (E_RNA)
where:
Base-Base interactions energy: -732.809
where: short stacking energy: -304.097
Base-Backbone interact. energy: -1.047
local terms energy: -331.346093
where:
bonds (distance) C4'-P energy: -62.936
bonds (distance) P-C4' energy: -67.055
flat angles C4'-P-C4' energy: -70.638
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -76.862
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1214.294596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.294596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.294596 (E_RNA)
where:
Base-Base interactions energy: -699.717
where: short stacking energy: -295.695
Base-Backbone interact. energy: 2.891
local terms energy: -319.468431
where:
bonds (distance) C4'-P energy: -54.030
bonds (distance) P-C4' energy: -67.637
flat angles C4'-P-C4' energy: -78.281
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: -86.894
Dist. restrs. and SS energy: -198.000 (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: 374
Temperature: 1.200000
Total energy: -1166.247496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.247496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.247496 (E_RNA)
where:
Base-Base interactions energy: -670.246
where: short stacking energy: -262.818
Base-Backbone interact. energy: -3.907
local terms energy: -294.094179
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -63.547
flat angles C4'-P-C4' energy: -68.851
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -64.607
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1092.314197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.314197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.114197 (E_RNA)
where:
Base-Base interactions energy: -624.034
where: short stacking energy: -253.097
Base-Backbone interact. energy: -0.359
local terms energy: -280.720795
where:
bonds (distance) C4'-P energy: -52.809
bonds (distance) P-C4' energy: -58.046
flat angles C4'-P-C4' energy: -78.259
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -64.052
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1089.137038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.137038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.137038 (E_RNA)
where:
Base-Base interactions energy: -626.415
where: short stacking energy: -271.668
Base-Backbone interact. energy: 3.057
local terms energy: -267.779355
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -56.254
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -935.960288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.960288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.760288 (E_RNA)
where:
Base-Base interactions energy: -521.521
where: short stacking energy: -188.536
Base-Backbone interact. energy: 1.532
local terms energy: -255.771733
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -62.531
flat angles C4'-P-C4' energy: -58.890
flat angles P-C4'-P energy: -41.138
tors. eta vs tors. theta energy: -42.395
Dist. restrs. and SS energy: -160.200 (S_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: 375
Temperature: 0.900000
Total energy: -1458.748429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.748429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.348429 (E_RNA)
where:
Base-Base interactions energy: -881.318
where: short stacking energy: -358.309
Base-Backbone interact. energy: -2.195
local terms energy: -362.835921
where:
bonds (distance) C4'-P energy: -70.741
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -80.783
flat angles P-C4'-P energy: -49.695
tors. eta vs tors. theta energy: -87.981
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1467.817840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.817840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.017840 (E_RNA)
where:
Base-Base interactions energy: -879.624
where: short stacking energy: -347.634
Base-Backbone interact. energy: -3.058
local terms energy: -367.336415
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -74.576
flat angles C4'-P-C4' energy: -80.202
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -94.121
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. 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: -1395.245507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.245507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.045507 (E_RNA)
where:
Base-Base interactions energy: -818.152
where: short stacking energy: -346.213
Base-Backbone interact. energy: 1.833
local terms energy: -373.726492
where:
bonds (distance) C4'-P energy: -61.363
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -80.165
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -96.746
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1361.157455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.157455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.757455 (E_RNA)
where:
Base-Base interactions energy: -806.733
where: short stacking energy: -323.017
Base-Backbone interact. energy: -1.711
local terms energy: -349.314126
where:
bonds (distance) C4'-P energy: -57.358
bonds (distance) P-C4' energy: -65.740
flat angles C4'-P-C4' energy: -79.446
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -92.140
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1302.891182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.891182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.891182 (E_RNA)
where:
Base-Base interactions energy: -748.685
where: short stacking energy: -298.929
Base-Backbone interact. energy: -1.147
local terms energy: -337.059443
where:
bonds (distance) C4'-P energy: -70.012
bonds (distance) P-C4' energy: -77.107
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -49.335
tors. eta vs tors. theta energy: -75.869
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1217.537886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.537886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.537886 (E_RNA)
where:
Base-Base interactions energy: -733.688
where: short stacking energy: -279.251
Base-Backbone interact. energy: 0.900
local terms energy: -286.749835
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -66.085
flat angles C4'-P-C4' energy: -68.854
flat angles P-C4'-P energy: -40.255
tors. eta vs tors. theta energy: -68.305
Dist. restrs. and SS energy: -198.000 (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: 375
Temperature: 1.200000
Total energy: -1138.440879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.440879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.040879 (E_RNA)
where:
Base-Base interactions energy: -664.422
where: short stacking energy: -272.729
Base-Backbone interact. energy: -1.188
local terms energy: -269.431088
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -60.394
flat angles C4'-P-C4' energy: -49.039
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -63.443
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1098.289858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.289858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.289858 (E_RNA)
where:
Base-Base interactions energy: -606.401
where: short stacking energy: -239.487
Base-Backbone interact. energy: 2.376
local terms energy: -296.265622
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -61.328
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: -57.984
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1074.627155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.627155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.027155 (E_RNA)
where:
Base-Base interactions energy: -602.572
where: short stacking energy: -239.416
Base-Backbone interact. energy: -1.296
local terms energy: -287.159600
where:
bonds (distance) C4'-P energy: -52.503
bonds (distance) P-C4' energy: -65.830
flat angles C4'-P-C4' energy: -66.505
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -49.637
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -923.741551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.741551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.341551 (E_RNA)
where:
Base-Base interactions energy: -526.218
where: short stacking energy: -211.621
Base-Backbone interact. energy: -1.533
local terms energy: -237.591153
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -46.444
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -44.128
Dist. restrs. and SS energy: -158.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1462.658942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.658942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.658942 (E_RNA)
where:
Base-Base interactions energy: -867.598
where: short stacking energy: -347.879
Base-Backbone interact. energy: -2.489
local terms energy: -376.571884
where:
bonds (distance) C4'-P energy: -70.468
bonds (distance) P-C4' energy: -81.325
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -95.002
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1419.171616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.171616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.371616 (E_RNA)
where:
Base-Base interactions energy: -845.546
where: short stacking energy: -339.966
Base-Backbone interact. energy: 1.558
local terms energy: -357.383679
where:
bonds (distance) C4'-P energy: -64.198
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -75.643
flat angles P-C4'-P energy: -60.524
tors. eta vs tors. theta energy: -90.291
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. 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: -1373.736047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.736047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.536047 (E_RNA)
where:
Base-Base interactions energy: -818.238
where: short stacking energy: -336.298
Base-Backbone interact. energy: 1.610
local terms energy: -351.908458
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -66.905
flat angles C4'-P-C4' energy: -83.663
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -89.372
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1337.075522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.075522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.275522 (E_RNA)
where:
Base-Base interactions energy: -797.290
where: short stacking energy: -326.736
Base-Backbone interact. energy: 1.692
local terms energy: -341.677497
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -75.503
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -85.266
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1285.092848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.092848 (E_RNA)
where:
Base-Base interactions energy: -730.033
where: short stacking energy: -315.811
Base-Backbone interact. energy: -2.882
local terms energy: -345.178013
where:
bonds (distance) C4'-P energy: -66.987
bonds (distance) P-C4' energy: -74.914
flat angles C4'-P-C4' energy: -72.013
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -83.514
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1237.921645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.921645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.721645 (E_RNA)
where:
Base-Base interactions energy: -713.221
where: short stacking energy: -292.491
Base-Backbone interact. energy: 0.063
local terms energy: -328.563638
where:
bonds (distance) C4'-P energy: -64.653
bonds (distance) P-C4' energy: -65.317
flat angles C4'-P-C4' energy: -69.355
flat angles P-C4'-P energy: -55.121
tors. eta vs tors. theta energy: -74.118
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1161.587201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.587201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.787201 (E_RNA)
where:
Base-Base interactions energy: -666.914
where: short stacking energy: -269.779
Base-Backbone interact. energy: -2.042
local terms energy: -292.831625
where:
bonds (distance) C4'-P energy: -64.093
bonds (distance) P-C4' energy: -58.015
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -69.106
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1108.680111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.680111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.080111 (E_RNA)
where:
Base-Base interactions energy: -613.335
where: short stacking energy: -262.950
Base-Backbone interact. energy: -2.638
local terms energy: -291.107542
where:
bonds (distance) C4'-P energy: -61.340
bonds (distance) P-C4' energy: -57.089
flat angles C4'-P-C4' energy: -77.570
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -62.969
Dist. restrs. and SS energy: -201.600 (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: 376
Temperature: 1.300000
Total energy: -1064.639597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.639597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.239597 (E_RNA)
where:
Base-Base interactions energy: -603.478
where: short stacking energy: -235.722
Base-Backbone interact. energy: 2.030
local terms energy: -277.790929
where:
bonds (distance) C4'-P energy: -47.577
bonds (distance) P-C4' energy: -76.200
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -53.454
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -931.747291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.747291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.947291 (E_RNA)
where:
Base-Base interactions energy: -520.982
where: short stacking energy: -218.279
Base-Backbone interact. energy: -0.106
local terms energy: -246.859407
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -49.323
Dist. restrs. and SS energy: -163.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1443.568687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.568687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.568687 (E_RNA)
where:
Base-Base interactions energy: -859.924
where: short stacking energy: -341.869
Base-Backbone interact. energy: -1.856
local terms energy: -365.788036
where:
bonds (distance) C4'-P energy: -72.929
bonds (distance) P-C4' energy: -69.924
flat angles C4'-P-C4' energy: -79.082
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -88.020
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1433.882824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.882824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.882824 (E_RNA)
where:
Base-Base interactions energy: -848.928
where: short stacking energy: -350.388
Base-Backbone interact. energy: -2.856
local terms energy: -366.099053
where:
bonds (distance) C4'-P energy: -72.182
bonds (distance) P-C4' energy: -71.701
flat angles C4'-P-C4' energy: -83.755
flat angles P-C4'-P energy: -54.033
tors. eta vs tors. theta energy: -84.427
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1369.454822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.454822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.254822 (E_RNA)
where:
Base-Base interactions energy: -806.429
where: short stacking energy: -330.486
Base-Backbone interact. energy: -2.274
local terms energy: -355.551445
where:
bonds (distance) C4'-P energy: -68.451
bonds (distance) P-C4' energy: -69.318
flat angles C4'-P-C4' energy: -77.462
flat angles P-C4'-P energy: -58.988
tors. eta vs tors. theta energy: -81.333
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1352.953568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.953568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.553568 (E_RNA)
where:
Base-Base interactions energy: -818.821
where: short stacking energy: -318.611
Base-Backbone interact. energy: -1.537
local terms energy: -329.195672
where:
bonds (distance) C4'-P energy: -55.853
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: -86.969
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1246.218841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.218841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.618841 (E_RNA)
where:
Base-Base interactions energy: -716.911
where: short stacking energy: -291.002
Base-Backbone interact. energy: -0.997
local terms energy: -317.710466
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -73.607
flat angles C4'-P-C4' energy: -71.502
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -71.754
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1230.628612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.628612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.828612 (E_RNA)
where:
Base-Base interactions energy: -720.336
where: short stacking energy: -294.517
Base-Backbone interact. energy: 2.245
local terms energy: -312.737138
where:
bonds (distance) C4'-P energy: -63.982
bonds (distance) P-C4' energy: -68.373
flat angles C4'-P-C4' energy: -69.514
flat angles P-C4'-P energy: -44.423
tors. eta vs tors. theta energy: -66.446
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1170.682593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.682593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.082593 (E_RNA)
where:
Base-Base interactions energy: -671.321
where: short stacking energy: -263.369
Base-Backbone interact. energy: 4.306
local terms energy: -302.068005
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -63.539
flat angles C4'-P-C4' energy: -75.603
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: -68.687
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1109.090756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.090756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.690756 (E_RNA)
where:
Base-Base interactions energy: -642.427
where: short stacking energy: -267.530
Base-Backbone interact. energy: -2.550
local terms energy: -278.714073
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -44.164
tors. eta vs tors. theta energy: -60.325
Dist. restrs. and SS energy: -185.400 (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: 377
Temperature: 1.300000
Total energy: -1105.654021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.654021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.854021 (E_RNA)
where:
Base-Base interactions energy: -634.189
where: short stacking energy: -264.462
Base-Backbone interact. energy: -0.896
local terms energy: -270.768478
where:
bonds (distance) C4'-P energy: -69.096
bonds (distance) P-C4' energy: -55.253
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -58.955
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -883.574453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.574453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.574453 (E_RNA)
where:
Base-Base interactions energy: -489.510
where: short stacking energy: -196.787
Base-Backbone interact. energy: -3.424
local terms energy: -237.640581
where:
bonds (distance) C4'-P energy: -53.311
bonds (distance) P-C4' energy: -62.919
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -36.596
Dist. restrs. and SS energy: -153.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1456.053757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.053757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.053757 (E_RNA)
where:
Base-Base interactions energy: -871.120
where: short stacking energy: -344.674
Base-Backbone interact. energy: -2.807
local terms energy: -366.126996
where:
bonds (distance) C4'-P energy: -70.943
bonds (distance) P-C4' energy: -76.450
flat angles C4'-P-C4' energy: -82.810
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -91.022
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1436.084060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.084060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.684060 (E_RNA)
where:
Base-Base interactions energy: -850.192
where: short stacking energy: -325.490
Base-Backbone interact. energy: -1.214
local terms energy: -372.277716
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -71.007
flat angles C4'-P-C4' energy: -86.329
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -88.104
Dist. restrs. and SS energy: -212.400 (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: 378
Temperature: 1.000000
Total energy: -1374.078812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.078812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.078812 (E_RNA)
where:
Base-Base interactions energy: -814.509
where: short stacking energy: -345.293
Base-Backbone interact. energy: -1.092
local terms energy: -351.477538
where:
bonds (distance) C4'-P energy: -58.960
bonds (distance) P-C4' energy: -72.206
flat angles C4'-P-C4' energy: -79.294
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -89.106
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1317.679694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.679694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.079694 (E_RNA)
where:
Base-Base interactions energy: -783.202
where: short stacking energy: -313.568
Base-Backbone interact. energy: -3.526
local terms energy: -329.351799
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -73.085
flat angles C4'-P-C4' energy: -78.888
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -71.587
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1272.141701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.141701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.541701 (E_RNA)
where:
Base-Base interactions energy: -759.789
where: short stacking energy: -290.647
Base-Backbone interact. energy: -1.342
local terms energy: -318.410323
where:
bonds (distance) C4'-P energy: -71.419
bonds (distance) P-C4' energy: -69.106
flat angles C4'-P-C4' energy: -58.596
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -82.225
Dist. restrs. and SS energy: -192.600 (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: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1244.098357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.098357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.098357 (E_RNA)
where:
Base-Base interactions energy: -720.202
where: short stacking energy: -279.922
Base-Backbone interact. energy: -2.238
local terms energy: -314.658122
where:
bonds (distance) C4'-P energy: -64.580
bonds (distance) P-C4' energy: -74.850
flat angles C4'-P-C4' energy: -75.793
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -57.313
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1160.884728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.884728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.284728 (E_RNA)
where:
Base-Base interactions energy: -655.330
where: short stacking energy: -267.762
Base-Backbone interact. energy: -0.140
local terms energy: -303.815320
where:
bonds (distance) C4'-P energy: -60.364
bonds (distance) P-C4' energy: -66.287
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -50.975
tors. eta vs tors. theta energy: -62.966
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1099.461603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.461603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.661603 (E_RNA)
where:
Base-Base interactions energy: -653.466
where: short stacking energy: -266.370
Base-Backbone interact. energy: 0.042
local terms energy: -264.237806
where:
bonds (distance) C4'-P energy: -55.663
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -73.161
Dist. restrs. and SS energy: -181.800 (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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1056.003643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.003643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.403643 (E_RNA)
where:
Base-Base interactions energy: -579.186
where: short stacking energy: -228.389
Base-Backbone interact. energy: 0.812
local terms energy: -285.030220
where:
bonds (distance) C4'-P energy: -63.229
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -53.684
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -868.085886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.085886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.285886 (E_RNA)
where:
Base-Base interactions energy: -492.456
where: short stacking energy: -198.374
Base-Backbone interact. energy: -2.448
local terms energy: -227.382382
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -64.117
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1457.803140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.803140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.603140 (E_RNA)
where:
Base-Base interactions energy: -870.431
where: short stacking energy: -340.316
Base-Backbone interact. energy: -2.162
local terms energy: -371.010398
where:
bonds (distance) C4'-P energy: -75.290
bonds (distance) P-C4' energy: -74.905
flat angles C4'-P-C4' energy: -78.033
flat angles P-C4'-P energy: -57.228
tors. eta vs tors. theta energy: -85.554
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1403.671596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.671596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.271596 (E_RNA)
where:
Base-Base interactions energy: -841.096
where: short stacking energy: -357.614
Base-Backbone interact. energy: -0.298
local terms energy: -358.877282
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -78.358
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -100.116
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1393.272368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.272368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.072368 (E_RNA)
where:
Base-Base interactions energy: -816.804
where: short stacking energy: -315.302
Base-Backbone interact. energy: -2.331
local terms energy: -359.937364
where:
bonds (distance) C4'-P energy: -70.926
bonds (distance) P-C4' energy: -67.786
flat angles C4'-P-C4' energy: -87.129
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -82.670
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1342.480655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.480655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.480655 (E_RNA)
where:
Base-Base interactions energy: -811.560
where: short stacking energy: -332.564
Base-Backbone interact. energy: -2.220
local terms energy: -330.700694
where:
bonds (distance) C4'-P energy: -65.800
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -92.857
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1289.654614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.654614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.854614 (E_RNA)
where:
Base-Base interactions energy: -767.738
where: short stacking energy: -294.493
Base-Backbone interact. energy: -2.081
local terms energy: -320.034933
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -70.955
flat angles C4'-P-C4' energy: -67.122
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: -76.358
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1254.981775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.981775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.781775 (E_RNA)
where:
Base-Base interactions energy: -724.006
where: short stacking energy: -294.061
Base-Backbone interact. energy: -1.940
local terms energy: -314.836122
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -70.027
flat angles P-C4'-P energy: -48.386
tors. eta vs tors. theta energy: -72.675
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1192.141017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.141017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.341017 (E_RNA)
where:
Base-Base interactions energy: -692.374
where: short stacking energy: -282.677
Base-Backbone interact. energy: -2.307
local terms energy: -297.659684
where:
bonds (distance) C4'-P energy: -63.225
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -73.118
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1106.277237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.277237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.277237 (E_RNA)
where:
Base-Base interactions energy: -647.892
where: short stacking energy: -271.820
Base-Backbone interact. energy: -0.502
local terms energy: -277.883450
where:
bonds (distance) C4'-P energy: -51.995
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -61.352
Dist. restrs. and SS energy: -180.000 (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: 379
Temperature: 1.300000
Total energy: -1077.017175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.017175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.617175 (E_RNA)
where:
Base-Base interactions energy: -620.786
where: short stacking energy: -236.712
Base-Backbone interact. energy: -1.648
local terms energy: -260.183163
where:
bonds (distance) C4'-P energy: -66.186
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -55.584
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -864.971366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.971366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.171366 (E_RNA)
where:
Base-Base interactions energy: -481.681
where: short stacking energy: -194.064
Base-Backbone interact. energy: -0.857
local terms energy: -236.633617
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -62.347
flat angles C4'-P-C4' energy: -67.806
flat angles P-C4'-P energy: -33.604
tors. eta vs tors. theta energy: -27.292
Dist. restrs. and SS energy: -145.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1444.408735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.408735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.608735 (E_RNA)
where:
Base-Base interactions energy: -854.375
where: short stacking energy: -362.624
Base-Backbone interact. energy: -1.044
local terms energy: -380.190295
where:
bonds (distance) C4'-P energy: -71.667
bonds (distance) P-C4' energy: -73.647
flat angles C4'-P-C4' energy: -80.774
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -100.903
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1429.643770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.643770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.643770 (E_RNA)
where:
Base-Base interactions energy: -848.124
where: short stacking energy: -348.090
Base-Backbone interact. energy: -0.874
local terms energy: -364.645851
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -74.601
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -60.089
tors. eta vs tors. theta energy: -86.790
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1428.426017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.426017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.226017 (E_RNA)
where:
Base-Base interactions energy: -860.295
where: short stacking energy: -333.794
Base-Backbone interact. energy: -1.041
local terms energy: -352.890021
where:
bonds (distance) C4'-P energy: -68.278
bonds (distance) P-C4' energy: -68.091
flat angles C4'-P-C4' energy: -81.999
flat angles P-C4'-P energy: -48.179
tors. eta vs tors. theta energy: -86.343
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1336.488427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.488427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.888427 (E_RNA)
where:
Base-Base interactions energy: -786.401
where: short stacking energy: -330.873
Base-Backbone interact. energy: -1.972
local terms energy: -346.515265
where:
bonds (distance) C4'-P energy: -67.791
bonds (distance) P-C4' energy: -66.732
flat angles C4'-P-C4' energy: -72.052
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -85.509
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1252.108090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.108090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.708090 (E_RNA)
where:
Base-Base interactions energy: -729.682
where: short stacking energy: -293.866
Base-Backbone interact. energy: -1.289
local terms energy: -326.737555
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -67.716
flat angles C4'-P-C4' energy: -76.478
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -72.731
Dist. restrs. and SS energy: -194.400 (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: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1270.051360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.051360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.851360 (E_RNA)
where:
Base-Base interactions energy: -731.534
where: short stacking energy: -310.403
Base-Backbone interact. energy: 0.496
local terms energy: -324.812973
where:
bonds (distance) C4'-P energy: -64.547
bonds (distance) P-C4' energy: -62.815
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -85.234
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1177.242241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.242241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.242241 (E_RNA)
where:
Base-Base interactions energy: -683.239
where: short stacking energy: -262.609
Base-Backbone interact. energy: -1.000
local terms energy: -295.003416
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -64.590
flat angles C4'-P-C4' energy: -71.724
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -68.370
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1070.375353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.375353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.175353 (E_RNA)
where:
Base-Base interactions energy: -595.723
where: short stacking energy: -224.030
Base-Backbone interact. energy: -5.203
local terms energy: -282.250048
where:
bonds (distance) C4'-P energy: -54.637
bonds (distance) P-C4' energy: -69.044
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -55.796
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1108.547420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.547420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.347420 (E_RNA)
where:
Base-Base interactions energy: -628.229
where: short stacking energy: -248.388
Base-Backbone interact. energy: -1.099
local terms energy: -274.018924
where:
bonds (distance) C4'-P energy: -72.218
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -50.629
Dist. restrs. and SS energy: -205.200 (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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -899.397491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.397491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.997491 (E_RNA)
where:
Base-Base interactions energy: -497.883
where: short stacking energy: -210.832
Base-Backbone interact. energy: -0.374
local terms energy: -251.739784
where:
bonds (distance) C4'-P energy: -63.118
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -32.677
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1439.427729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.427729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.627729 (E_RNA)
where:
Base-Base interactions energy: -849.026
where: short stacking energy: -368.074
Base-Backbone interact. energy: -1.812
local terms energy: -379.789199
where:
bonds (distance) C4'-P energy: -61.757
bonds (distance) P-C4' energy: -73.621
flat angles C4'-P-C4' energy: -82.877
flat angles P-C4'-P energy: -54.825
tors. eta vs tors. theta energy: -106.710
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1467.358086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.358086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.158086 (E_RNA)
where:
Base-Base interactions energy: -885.563
where: short stacking energy: -347.290
Base-Backbone interact. energy: 0.019
local terms energy: -367.613543
where:
bonds (distance) C4'-P energy: -76.213
bonds (distance) P-C4' energy: -64.449
flat angles C4'-P-C4' energy: -84.723
flat angles P-C4'-P energy: -52.705
tors. eta vs tors. theta energy: -89.523
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1403.505764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.505764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.705764 (E_RNA)
where:
Base-Base interactions energy: -824.645
where: short stacking energy: -327.291
Base-Backbone interact. energy: -2.284
local terms energy: -358.776633
where:
bonds (distance) C4'-P energy: -57.474
bonds (distance) P-C4' energy: -75.181
flat angles C4'-P-C4' energy: -81.650
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -88.653
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1344.872670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.872670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.472670 (E_RNA)
where:
Base-Base interactions energy: -791.535
where: short stacking energy: -334.306
Base-Backbone interact. energy: -1.895
local terms energy: -348.042146
where:
bonds (distance) C4'-P energy: -65.619
bonds (distance) P-C4' energy: -71.875
flat angles C4'-P-C4' energy: -75.149
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -91.969
Dist. restrs. and SS energy: -203.400 (S_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: 381
Temperature: 1.100000
Total energy: -1230.480687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.480687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.480687 (E_RNA)
where:
Base-Base interactions energy: -714.133
where: short stacking energy: -285.242
Base-Backbone interact. energy: 0.918
local terms energy: -319.265331
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -74.051
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -78.788
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1203.997149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.997149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.797149 (E_RNA)
where:
Base-Base interactions energy: -693.933
where: short stacking energy: -276.048
Base-Backbone interact. energy: 1.151
local terms energy: -315.015161
where:
bonds (distance) C4'-P energy: -61.399
bonds (distance) P-C4' energy: -56.619
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -69.803
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1215.430057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.430057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.030057 (E_RNA)
where:
Base-Base interactions energy: -705.150
where: short stacking energy: -268.666
Base-Backbone interact. energy: -0.649
local terms energy: -297.231392
where:
bonds (distance) C4'-P energy: -61.564
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -68.702
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -71.461
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1174.254458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.254458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.654458 (E_RNA)
where:
Base-Base interactions energy: -672.487
where: short stacking energy: -273.144
Base-Backbone interact. energy: -2.290
local terms energy: -297.877142
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -70.808
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -49.686
Dist. restrs. and SS energy: -201.600 (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: 381
Temperature: 1.300000
Total energy: -1067.824552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.824552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.224552 (E_RNA)
where:
Base-Base interactions energy: -611.624
where: short stacking energy: -236.386
Base-Backbone interact. energy: -1.626
local terms energy: -270.975034
where:
bonds (distance) C4'-P energy: -65.767
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -69.005
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -44.036
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -868.868743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.868743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.668743 (E_RNA)
where:
Base-Base interactions energy: -464.982
where: short stacking energy: -212.239
Base-Backbone interact. energy: -0.561
local terms energy: -252.125449
where:
bonds (distance) C4'-P energy: -47.091
bonds (distance) P-C4' energy: -68.123
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1460.538788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.538788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.138788 (E_RNA)
where:
Base-Base interactions energy: -886.187
where: short stacking energy: -348.387
Base-Backbone interact. energy: -2.133
local terms energy: -359.819551
where:
bonds (distance) C4'-P energy: -76.050
bonds (distance) P-C4' energy: -62.030
flat angles C4'-P-C4' energy: -84.857
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: -85.208
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1425.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.069240 (E_RNA)
where:
Base-Base interactions energy: -844.794
where: short stacking energy: -346.046
Base-Backbone interact. energy: -1.412
local terms energy: -371.863275
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -73.096
flat angles C4'-P-C4' energy: -83.141
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -100.120
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1404.139642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.139642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.339642 (E_RNA)
where:
Base-Base interactions energy: -823.082
where: short stacking energy: -348.333
Base-Backbone interact. energy: -2.824
local terms energy: -360.433564
where:
bonds (distance) C4'-P energy: -68.206
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -75.636
flat angles P-C4'-P energy: -53.189
tors. eta vs tors. theta energy: -86.697
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1322.615044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.615044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.815044 (E_RNA)
where:
Base-Base interactions energy: -782.647
where: short stacking energy: -323.681
Base-Backbone interact. energy: -2.285
local terms energy: -337.883709
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -64.453
flat angles C4'-P-C4' energy: -84.525
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -92.038
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1259.967622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.967622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.367622 (E_RNA)
where:
Base-Base interactions energy: -727.972
where: short stacking energy: -299.076
Base-Backbone interact. energy: -0.742
local terms energy: -329.654340
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -64.722
flat angles C4'-P-C4' energy: -70.417
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -83.443
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1201.544713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.544713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.544713 (E_RNA)
where:
Base-Base interactions energy: -688.254
where: short stacking energy: -271.791
Base-Backbone interact. energy: 0.144
local terms energy: -315.434701
where:
bonds (distance) C4'-P energy: -56.464
bonds (distance) P-C4' energy: -71.014
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -73.236
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1237.420114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.420114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.820114 (E_RNA)
where:
Base-Base interactions energy: -719.311
where: short stacking energy: -308.712
Base-Backbone interact. energy: 3.698
local terms energy: -311.206993
where:
bonds (distance) C4'-P energy: -64.310
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -82.554
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1115.303731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.303731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.303731 (E_RNA)
where:
Base-Base interactions energy: -623.236
where: short stacking energy: -239.033
Base-Backbone interact. energy: -0.845
local terms energy: -293.222891
where:
bonds (distance) C4'-P energy: -65.643
bonds (distance) P-C4' energy: -62.870
flat angles C4'-P-C4' energy: -64.421
flat angles P-C4'-P energy: -45.369
tors. eta vs tors. theta energy: -54.920
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1058.524539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.524539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.924539 (E_RNA)
where:
Base-Base interactions energy: -595.748
where: short stacking energy: -232.684
Base-Backbone interact. energy: -0.024
local terms energy: -279.152002
where:
bonds (distance) C4'-P energy: -68.277
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -72.171
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -59.858
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -873.358647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.358647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.158647 (E_RNA)
where:
Base-Base interactions energy: -463.345
where: short stacking energy: -189.948
Base-Backbone interact. energy: -1.053
local terms energy: -257.761558
where:
bonds (distance) C4'-P energy: -57.535
bonds (distance) P-C4' energy: -68.945
flat angles C4'-P-C4' energy: -65.519
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -35.252
Dist. restrs. and SS energy: -151.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1453.290946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.290946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.290946 (E_RNA)
where:
Base-Base interactions energy: -867.513
where: short stacking energy: -356.553
Base-Backbone interact. energy: -1.134
local terms energy: -368.643814
where:
bonds (distance) C4'-P energy: -76.774
bonds (distance) P-C4' energy: -70.380
flat angles C4'-P-C4' energy: -81.149
flat angles P-C4'-P energy: -54.852
tors. eta vs tors. theta energy: -85.489
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1457.580129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.580129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.380129 (E_RNA)
where:
Base-Base interactions energy: -886.629
where: short stacking energy: -343.590
Base-Backbone interact. energy: -1.609
local terms energy: -355.142200
where:
bonds (distance) C4'-P energy: -78.326
bonds (distance) P-C4' energy: -71.589
flat angles C4'-P-C4' energy: -77.974
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -81.139
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1392.972224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.972224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.772224 (E_RNA)
where:
Base-Base interactions energy: -822.925
where: short stacking energy: -335.180
Base-Backbone interact. energy: 0.384
local terms energy: -365.231264
where:
bonds (distance) C4'-P energy: -65.984
bonds (distance) P-C4' energy: -64.102
flat angles C4'-P-C4' energy: -83.755
flat angles P-C4'-P energy: -54.187
tors. eta vs tors. theta energy: -97.203
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1279.980552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.980552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.980552 (E_RNA)
where:
Base-Base interactions energy: -757.989
where: short stacking energy: -306.860
Base-Backbone interact. energy: -1.995
local terms energy: -321.996657
where:
bonds (distance) C4'-P energy: -63.989
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -74.788
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -80.323
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1351.012876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.012876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.212876 (E_RNA)
where:
Base-Base interactions energy: -805.022
where: short stacking energy: -316.816
Base-Backbone interact. energy: -3.798
local terms energy: -342.393425
where:
bonds (distance) C4'-P energy: -65.802
bonds (distance) P-C4' energy: -73.929
flat angles C4'-P-C4' energy: -76.380
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -81.844
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1234.402309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.402309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.002309 (E_RNA)
where:
Base-Base interactions energy: -711.418
where: short stacking energy: -288.072
Base-Backbone interact. energy: 0.181
local terms energy: -310.765758
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -65.863
flat angles C4'-P-C4' energy: -71.493
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -69.382
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1190.545435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.545435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.745435 (E_RNA)
where:
Base-Base interactions energy: -687.203
where: short stacking energy: -284.575
Base-Backbone interact. energy: 2.454
local terms energy: -305.996194
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -41.720
tors. eta vs tors. theta energy: -76.665
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1098.689863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.689863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.889863 (E_RNA)
where:
Base-Base interactions energy: -610.393
where: short stacking energy: -233.262
Base-Backbone interact. energy: 0.524
local terms energy: -289.020917
where:
bonds (distance) C4'-P energy: -69.641
bonds (distance) P-C4' energy: -70.208
flat angles C4'-P-C4' energy: -64.653
flat angles P-C4'-P energy: -31.129
tors. eta vs tors. theta energy: -53.389
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1049.102816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.102816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.302816 (E_RNA)
where:
Base-Base interactions energy: -608.639
where: short stacking energy: -247.018
Base-Backbone interact. energy: -1.070
local terms energy: -257.593517
where:
bonds (distance) C4'-P energy: -46.137
bonds (distance) P-C4' energy: -63.650
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -38.547
tors. eta vs tors. theta energy: -56.248
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -882.814955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.814955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.414955 (E_RNA)
where:
Base-Base interactions energy: -506.552
where: short stacking energy: -200.184
Base-Backbone interact. energy: 2.045
local terms energy: -228.908795
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -67.057
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1467.404451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.404451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.604451 (E_RNA)
where:
Base-Base interactions energy: -883.834
where: short stacking energy: -331.954
Base-Backbone interact. energy: -2.840
local terms energy: -362.930775
where:
bonds (distance) C4'-P energy: -76.365
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -81.911
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1450.519913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.519913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.519913 (E_RNA)
where:
Base-Base interactions energy: -862.821
where: short stacking energy: -346.349
Base-Backbone interact. energy: -2.423
local terms energy: -369.275394
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -79.315
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -47.749
tors. eta vs tors. theta energy: -86.195
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1406.467686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.467686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.667686 (E_RNA)
where:
Base-Base interactions energy: -830.082
where: short stacking energy: -342.065
Base-Backbone interact. energy: 1.280
local terms energy: -368.864824
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -80.037
flat angles C4'-P-C4' energy: -75.316
flat angles P-C4'-P energy: -46.572
tors. eta vs tors. theta energy: -99.704
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1278.378388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.378388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.578388 (E_RNA)
where:
Base-Base interactions energy: -734.428
where: short stacking energy: -303.112
Base-Backbone interact. energy: -1.597
local terms energy: -342.552735
where:
bonds (distance) C4'-P energy: -64.163
bonds (distance) P-C4' energy: -76.190
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -55.143
tors. eta vs tors. theta energy: -72.928
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1280.358832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.358832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.358832 (E_RNA)
where:
Base-Base interactions energy: -757.856
where: short stacking energy: -302.428
Base-Backbone interact. energy: -0.025
local terms energy: -306.478288
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -80.299
flat angles P-C4'-P energy: -49.515
tors. eta vs tors. theta energy: -64.752
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1259.457820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.457820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.657820 (E_RNA)
where:
Base-Base interactions energy: -741.444
where: short stacking energy: -306.901
Base-Backbone interact. energy: -1.194
local terms energy: -317.019013
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -54.983
flat angles C4'-P-C4' energy: -77.450
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -84.407
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1161.490425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.490425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.290425 (E_RNA)
where:
Base-Base interactions energy: -670.172
where: short stacking energy: -285.431
Base-Backbone interact. energy: 1.815
local terms energy: -296.933470
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -72.512
flat angles C4'-P-C4' energy: -67.622
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -64.954
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1137.561257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.561257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.561257 (E_RNA)
where:
Base-Base interactions energy: -642.379
where: short stacking energy: -273.063
Base-Backbone interact. energy: -0.318
local terms energy: -296.863946
where:
bonds (distance) C4'-P energy: -62.751
bonds (distance) P-C4' energy: -69.147
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -57.643
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1056.123827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.123827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.723827 (E_RNA)
where:
Base-Base interactions energy: -582.309
where: short stacking energy: -232.293
Base-Backbone interact. energy: 2.356
local terms energy: -290.771484
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -61.848
flat angles C4'-P-C4' energy: -68.881
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -61.112
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -879.405135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.405135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.005135 (E_RNA)
where:
Base-Base interactions energy: -477.095
where: short stacking energy: -215.189
Base-Backbone interact. energy: -0.387
local terms energy: -252.522774
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -48.454
Dist. restrs. and SS energy: -149.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1444.099060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.099060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.099060 (E_RNA)
where:
Base-Base interactions energy: -855.883
where: short stacking energy: -344.926
Base-Backbone interact. energy: 0.410
local terms energy: -372.626321
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -82.194
flat angles C4'-P-C4' energy: -82.500
flat angles P-C4'-P energy: -49.622
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1425.992775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.992775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.792775 (E_RNA)
where:
Base-Base interactions energy: -844.559
where: short stacking energy: -346.148
Base-Backbone interact. energy: 0.225
local terms energy: -376.459206
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -59.961
flat angles C4'-P-C4' energy: -82.132
flat angles P-C4'-P energy: -58.707
tors. eta vs tors. theta energy: -98.105
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1409.766999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.766999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.166999 (E_RNA)
where:
Base-Base interactions energy: -841.440
where: short stacking energy: -337.976
Base-Backbone interact. energy: -1.277
local terms energy: -347.450254
where:
bonds (distance) C4'-P energy: -59.841
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -81.783
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -86.112
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1270.957825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.957825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.557825 (E_RNA)
where:
Base-Base interactions energy: -733.345
where: short stacking energy: -289.663
Base-Backbone interact. energy: 0.780
local terms energy: -334.992816
where:
bonds (distance) C4'-P energy: -59.575
bonds (distance) P-C4' energy: -70.181
flat angles C4'-P-C4' energy: -76.552
flat angles P-C4'-P energy: -59.886
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1281.221372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.221372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.021372 (E_RNA)
where:
Base-Base interactions energy: -729.759
where: short stacking energy: -276.988
Base-Backbone interact. energy: -1.807
local terms energy: -335.455605
where:
bonds (distance) C4'-P energy: -67.956
bonds (distance) P-C4' energy: -73.140
flat angles C4'-P-C4' energy: -71.230
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: -214.200 (S_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: 385
Temperature: 1.150000
Total energy: -1226.229390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.229390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.029390 (E_RNA)
where:
Base-Base interactions energy: -714.983
where: short stacking energy: -281.501
Base-Backbone interact. energy: -0.822
local terms energy: -305.224692
where:
bonds (distance) C4'-P energy: -60.128
bonds (distance) P-C4' energy: -59.186
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: -74.379
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1172.786131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.786131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.786131 (E_RNA)
where:
Base-Base interactions energy: -665.358
where: short stacking energy: -263.516
Base-Backbone interact. energy: 1.160
local terms energy: -310.587237
where:
bonds (distance) C4'-P energy: -69.125
bonds (distance) P-C4' energy: -66.312
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -70.305
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1096.776175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.776175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.376175 (E_RNA)
where:
Base-Base interactions energy: -618.275
where: short stacking energy: -234.753
Base-Backbone interact. energy: 0.127
local terms energy: -293.228504
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -68.664
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -50.720
Dist. restrs. and SS energy: -185.400 (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: 385
Temperature: 1.300000
Total energy: -1074.330651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.330651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.730651 (E_RNA)
where:
Base-Base interactions energy: -607.550
where: short stacking energy: -230.958
Base-Backbone interact. energy: 3.702
local terms energy: -277.882574
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -71.933
flat angles C4'-P-C4' energy: -62.197
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -44.577
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -915.681132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.681132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.281132 (E_RNA)
where:
Base-Base interactions energy: -522.824
where: short stacking energy: -197.682
Base-Backbone interact. energy: -1.958
local terms energy: -214.499355
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -61.434
flat angles C4'-P-C4' energy: -50.556
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1463.643094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.643094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.643094 (E_RNA)
where:
Base-Base interactions energy: -880.421
where: short stacking energy: -336.900
Base-Backbone interact. energy: 0.960
local terms energy: -368.181555
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -53.111
tors. eta vs tors. theta energy: -92.202
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1435.778424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.778424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.378424 (E_RNA)
where:
Base-Base interactions energy: -839.450
where: short stacking energy: -367.649
Base-Backbone interact. energy: -1.007
local terms energy: -391.921305
where:
bonds (distance) C4'-P energy: -69.889
bonds (distance) P-C4' energy: -78.983
flat angles C4'-P-C4' energy: -83.817
flat angles P-C4'-P energy: -54.410
tors. eta vs tors. theta energy: -104.822
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1420.467316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.467316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.467316 (E_RNA)
where:
Base-Base interactions energy: -857.709
where: short stacking energy: -348.114
Base-Backbone interact. energy: 6.824
local terms energy: -353.582028
where:
bonds (distance) C4'-P energy: -68.661
bonds (distance) P-C4' energy: -73.571
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -49.335
tors. eta vs tors. theta energy: -89.783
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1297.805755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.805755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.805755 (E_RNA)
where:
Base-Base interactions energy: -765.769
where: short stacking energy: -306.080
Base-Backbone interact. energy: -0.082
local terms energy: -333.954407
where:
bonds (distance) C4'-P energy: -76.053
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -66.332
flat angles P-C4'-P energy: -50.503
tors. eta vs tors. theta energy: -70.764
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1267.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.844118 (E_RNA)
where:
Base-Base interactions energy: -728.910
where: short stacking energy: -290.919
Base-Backbone interact. energy: 1.233
local terms energy: -324.167547
where:
bonds (distance) C4'-P energy: -58.284
bonds (distance) P-C4' energy: -75.045
flat angles C4'-P-C4' energy: -67.192
flat angles P-C4'-P energy: -47.572
tors. eta vs tors. theta energy: -76.074
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1265.773210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.773210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.373210 (E_RNA)
where:
Base-Base interactions energy: -737.577
where: short stacking energy: -299.918
Base-Backbone interact. energy: -3.101
local terms energy: -321.694853
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -65.406
flat angles P-C4'-P energy: -47.760
tors. eta vs tors. theta energy: -74.786
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1105.771685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.771685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.971685 (E_RNA)
where:
Base-Base interactions energy: -629.955
where: short stacking energy: -263.457
Base-Backbone interact. energy: -0.866
local terms energy: -284.151069
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -68.632
flat angles C4'-P-C4' energy: -77.082
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -52.429
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1161.077894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.077894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.077894 (E_RNA)
where:
Base-Base interactions energy: -702.166
where: short stacking energy: -277.365
Base-Backbone interact. energy: -2.046
local terms energy: -267.866622
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: -189.000 (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: 386
Temperature: 1.300000
Total energy: -1084.060706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.060706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.260706 (E_RNA)
where:
Base-Base interactions energy: -623.981
where: short stacking energy: -252.610
Base-Backbone interact. energy: 0.755
local terms energy: -261.034259
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -53.444
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -930.150429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.150429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.750429 (E_RNA)
where:
Base-Base interactions energy: -527.325
where: short stacking energy: -198.001
Base-Backbone interact. energy: -0.658
local terms energy: -216.767865
where:
bonds (distance) C4'-P energy: -58.671
bonds (distance) P-C4' energy: -64.513
flat angles C4'-P-C4' energy: -45.254
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1467.162486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.162486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.162486 (E_RNA)
where:
Base-Base interactions energy: -880.262
where: short stacking energy: -342.009
Base-Backbone interact. energy: -2.464
local terms energy: -368.436752
where:
bonds (distance) C4'-P energy: -68.000
bonds (distance) P-C4' energy: -74.506
flat angles C4'-P-C4' energy: -78.217
flat angles P-C4'-P energy: -62.505
tors. eta vs tors. theta energy: -85.209
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1414.101442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.101442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.101442 (E_RNA)
where:
Base-Base interactions energy: -833.546
where: short stacking energy: -341.223
Base-Backbone interact. energy: -0.275
local terms energy: -364.280700
where:
bonds (distance) C4'-P energy: -73.889
bonds (distance) P-C4' energy: -74.879
flat angles C4'-P-C4' energy: -75.281
flat angles P-C4'-P energy: -51.007
tors. eta vs tors. theta energy: -89.225
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1391.691561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.691561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.291561 (E_RNA)
where:
Base-Base interactions energy: -820.853
where: short stacking energy: -352.962
Base-Backbone interact. energy: -1.322
local terms energy: -366.116000
where:
bonds (distance) C4'-P energy: -64.229
bonds (distance) P-C4' energy: -68.807
flat angles C4'-P-C4' energy: -81.190
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: -102.651
Dist. restrs. and SS energy: -203.400 (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: 387
Temperature: 1.050000
Total energy: -1299.216489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.216489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.416489 (E_RNA)
where:
Base-Base interactions energy: -741.538
where: short stacking energy: -298.979
Base-Backbone interact. energy: -1.032
local terms energy: -347.846409
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -76.929
flat angles C4'-P-C4' energy: -84.829
flat angles P-C4'-P energy: -55.811
tors. eta vs tors. theta energy: -68.444
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1251.265144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.265144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.865144 (E_RNA)
where:
Base-Base interactions energy: -753.130
where: short stacking energy: -284.320
Base-Backbone interact. energy: -3.003
local terms energy: -291.732072
where:
bonds (distance) C4'-P energy: -53.163
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -65.676
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1234.471932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.471932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.271932 (E_RNA)
where:
Base-Base interactions energy: -729.064
where: short stacking energy: -286.712
Base-Backbone interact. energy: -0.299
local terms energy: -299.908469
where:
bonds (distance) C4'-P energy: -63.206
bonds (distance) P-C4' energy: -61.032
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -73.898
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1078.390225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.390225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.790225 (E_RNA)
where:
Base-Base interactions energy: -603.331
where: short stacking energy: -247.768
Base-Backbone interact. energy: 1.496
local terms energy: -292.954721
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -79.894
flat angles P-C4'-P energy: -41.206
tors. eta vs tors. theta energy: -50.674
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1160.830700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.830700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.230700 (E_RNA)
where:
Base-Base interactions energy: -668.544
where: short stacking energy: -273.660
Base-Backbone interact. energy: 0.903
local terms energy: -300.589816
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -66.180
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -59.896
Dist. restrs. and SS energy: -192.600 (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: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1132.634047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.634047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.034047 (E_RNA)
where:
Base-Base interactions energy: -642.318
where: short stacking energy: -260.929
Base-Backbone interact. energy: 1.801
local terms energy: -290.516848
where:
bonds (distance) C4'-P energy: -58.568
bonds (distance) P-C4' energy: -68.094
flat angles C4'-P-C4' energy: -53.062
flat angles P-C4'-P energy: -41.733
tors. eta vs tors. theta energy: -69.060
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -972.456729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.456729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.456729 (E_RNA)
where:
Base-Base interactions energy: -543.161
where: short stacking energy: -215.778
Base-Backbone interact. energy: 0.007
local terms energy: -249.303163
where:
bonds (distance) C4'-P energy: -52.249
bonds (distance) P-C4' energy: -59.858
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -31.805
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1436.906156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.906156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.106156 (E_RNA)
where:
Base-Base interactions energy: -851.021
where: short stacking energy: -335.791
Base-Backbone interact. energy: -3.971
local terms energy: -364.114415
where:
bonds (distance) C4'-P energy: -70.878
bonds (distance) P-C4' energy: -82.338
flat angles C4'-P-C4' energy: -70.281
flat angles P-C4'-P energy: -59.445
tors. eta vs tors. theta energy: -81.172
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1461.823857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.823857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.023857 (E_RNA)
where:
Base-Base interactions energy: -893.562
where: short stacking energy: -341.560
Base-Backbone interact. energy: -2.759
local terms energy: -347.702910
where:
bonds (distance) C4'-P energy: -68.564
bonds (distance) P-C4' energy: -66.934
flat angles C4'-P-C4' energy: -77.702
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -86.620
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1401.364249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.364249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.164249 (E_RNA)
where:
Base-Base interactions energy: -855.128
where: short stacking energy: -361.010
Base-Backbone interact. energy: -1.484
local terms energy: -339.551431
where:
bonds (distance) C4'-P energy: -63.911
bonds (distance) P-C4' energy: -55.713
flat angles C4'-P-C4' energy: -76.439
flat angles P-C4'-P energy: -55.179
tors. eta vs tors. theta energy: -88.310
Dist. restrs. and SS energy: -205.200 (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: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1325.595919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.595919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.595919 (E_RNA)
where:
Base-Base interactions energy: -776.332
where: short stacking energy: -304.613
Base-Backbone interact. energy: -2.471
local terms energy: -330.792201
where:
bonds (distance) C4'-P energy: -68.472
bonds (distance) P-C4' energy: -68.757
flat angles C4'-P-C4' energy: -66.134
flat angles P-C4'-P energy: -52.957
tors. eta vs tors. theta energy: -74.472
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1265.045138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.045138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.445138 (E_RNA)
where:
Base-Base interactions energy: -728.189
where: short stacking energy: -281.805
Base-Backbone interact. energy: -0.801
local terms energy: -334.455270
where:
bonds (distance) C4'-P energy: -74.003
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -75.910
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1226.353654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.353654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.353654 (E_RNA)
where:
Base-Base interactions energy: -723.040
where: short stacking energy: -270.962
Base-Backbone interact. energy: 3.778
local terms energy: -309.091695
where:
bonds (distance) C4'-P energy: -52.553
bonds (distance) P-C4' energy: -71.153
flat angles C4'-P-C4' energy: -68.837
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -69.852
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1181.689865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.689865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.089865 (E_RNA)
where:
Base-Base interactions energy: -667.361
where: short stacking energy: -250.956
Base-Backbone interact. energy: -0.090
local terms energy: -312.638945
where:
bonds (distance) C4'-P energy: -59.915
bonds (distance) P-C4' energy: -68.229
flat angles C4'-P-C4' energy: -79.755
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -66.062
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1099.821529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.821529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.021529 (E_RNA)
where:
Base-Base interactions energy: -636.026
where: short stacking energy: -263.325
Base-Backbone interact. energy: 0.296
local terms energy: -273.291964
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -67.511
flat angles P-C4'-P energy: -53.072
tors. eta vs tors. theta energy: -61.188
Dist. restrs. and SS energy: -190.800 (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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1088.849184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.849184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.649184 (E_RNA)
where:
Base-Base interactions energy: -638.232
where: short stacking energy: -258.952
Base-Backbone interact. energy: 4.990
local terms energy: -259.407337
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -54.703
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -53.407
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -983.910023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.910023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.310023 (E_RNA)
where:
Base-Base interactions energy: -545.092
where: short stacking energy: -206.394
Base-Backbone interact. energy: -0.793
local terms energy: -254.424108
where:
bonds (distance) C4'-P energy: -41.897
bonds (distance) P-C4' energy: -73.051
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -39.270
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1432.904314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.904314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.704314 (E_RNA)
where:
Base-Base interactions energy: -831.996
where: short stacking energy: -344.605
Base-Backbone interact. energy: -1.566
local terms energy: -385.142157
where:
bonds (distance) C4'-P energy: -77.138
bonds (distance) P-C4' energy: -85.027
flat angles C4'-P-C4' energy: -79.802
flat angles P-C4'-P energy: -52.647
tors. eta vs tors. theta energy: -90.528
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1421.769470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.769470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.769470 (E_RNA)
where:
Base-Base interactions energy: -844.723
where: short stacking energy: -335.646
Base-Backbone interact. energy: -3.408
local terms energy: -357.638095
where:
bonds (distance) C4'-P energy: -65.488
bonds (distance) P-C4' energy: -75.143
flat angles C4'-P-C4' energy: -75.618
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -88.614
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1384.433567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.433567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.633567 (E_RNA)
where:
Base-Base interactions energy: -834.711
where: short stacking energy: -333.591
Base-Backbone interact. energy: 1.244
local terms energy: -342.166403
where:
bonds (distance) C4'-P energy: -64.385
bonds (distance) P-C4' energy: -61.132
flat angles C4'-P-C4' energy: -78.425
flat angles P-C4'-P energy: -52.646
tors. eta vs tors. theta energy: -85.579
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1308.595100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.595100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.595100 (E_RNA)
where:
Base-Base interactions energy: -765.159
where: short stacking energy: -309.355
Base-Backbone interact. energy: -0.371
local terms energy: -327.064506
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -77.373
flat angles P-C4'-P energy: -55.470
tors. eta vs tors. theta energy: -71.763
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1324.051730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.051730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.851730 (E_RNA)
where:
Base-Base interactions energy: -768.253
where: short stacking energy: -307.407
Base-Backbone interact. energy: -2.042
local terms energy: -348.557168
where:
bonds (distance) C4'-P energy: -64.011
bonds (distance) P-C4' energy: -74.086
flat angles C4'-P-C4' energy: -76.162
flat angles P-C4'-P energy: -53.027
tors. eta vs tors. theta energy: -81.271
Dist. restrs. and SS energy: -205.200 (S_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: 389
Temperature: 1.150000
Total energy: -1234.331243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.331243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.931243 (E_RNA)
where:
Base-Base interactions energy: -719.038
where: short stacking energy: -293.861
Base-Backbone interact. energy: 3.823
local terms energy: -315.715440
where:
bonds (distance) C4'-P energy: -68.269
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -83.909
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1168.599257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.599257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.399257 (E_RNA)
where:
Base-Base interactions energy: -663.328
where: short stacking energy: -250.323
Base-Backbone interact. energy: 3.423
local terms energy: -312.493835
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -69.621
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -37.451
tors. eta vs tors. theta energy: -69.247
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1130.563240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.563240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.963240 (E_RNA)
where:
Base-Base interactions energy: -659.881
where: short stacking energy: -267.291
Base-Backbone interact. energy: 0.207
local terms energy: -269.288924
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -62.980
flat angles C4'-P-C4' energy: -71.096
flat angles P-C4'-P energy: -38.423
tors. eta vs tors. theta energy: -50.372
Dist. restrs. and SS energy: -201.600 (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: 389
Temperature: 1.300000
Total energy: -1053.646266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.646266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.646266 (E_RNA)
where:
Base-Base interactions energy: -605.639
where: short stacking energy: -215.285
Base-Backbone interact. energy: -1.530
local terms energy: -248.477991
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -50.538
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1030.194080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.194080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.994080 (E_RNA)
where:
Base-Base interactions energy: -584.125
where: short stacking energy: -232.324
Base-Backbone interact. energy: 0.167
local terms energy: -268.036137
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -74.760
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -45.768
Dist. restrs. and SS energy: -178.200 (S_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: 390
Temperature: 0.900000
Total energy: -1450.881618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.881618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.881618 (E_RNA)
where:
Base-Base interactions energy: -863.275
where: short stacking energy: -335.781
Base-Backbone interact. energy: -1.579
local terms energy: -370.027153
where:
bonds (distance) C4'-P energy: -64.039
bonds (distance) P-C4' energy: -78.105
flat angles C4'-P-C4' energy: -83.439
flat angles P-C4'-P energy: -61.689
tors. eta vs tors. theta energy: -82.755
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1420.186692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.186692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.986692 (E_RNA)
where:
Base-Base interactions energy: -857.514
where: short stacking energy: -331.857
Base-Backbone interact. energy: -2.303
local terms energy: -346.169768
where:
bonds (distance) C4'-P energy: -61.899
bonds (distance) P-C4' energy: -68.961
flat angles C4'-P-C4' energy: -78.006
flat angles P-C4'-P energy: -57.684
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1399.046686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.046686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.646686 (E_RNA)
where:
Base-Base interactions energy: -832.255
where: short stacking energy: -351.936
Base-Backbone interact. energy: -1.746
local terms energy: -361.645510
where:
bonds (distance) C4'-P energy: -65.839
bonds (distance) P-C4' energy: -65.784
flat angles C4'-P-C4' energy: -82.156
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -97.368
Dist. restrs. and SS energy: -203.400 (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: 390
Temperature: 1.050000
Total energy: -1337.406926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.406926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.006926 (E_RNA)
where:
Base-Base interactions energy: -805.109
where: short stacking energy: -337.022
Base-Backbone interact. energy: -2.082
local terms energy: -317.815873
where:
bonds (distance) C4'-P energy: -65.742
bonds (distance) P-C4' energy: -55.330
flat angles C4'-P-C4' energy: -65.192
flat angles P-C4'-P energy: -42.388
tors. eta vs tors. theta energy: -89.163
Dist. restrs. and SS energy: -212.400 (S_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: 390
Temperature: 1.100000
Total energy: -1280.251282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.251282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.251282 (E_RNA)
where:
Base-Base interactions energy: -734.463
where: short stacking energy: -291.310
Base-Backbone interact. energy: 1.052
local terms energy: -339.840520
where:
bonds (distance) C4'-P energy: -67.055
bonds (distance) P-C4' energy: -77.110
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: -74.887
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1215.016579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.016579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.016579 (E_RNA)
where:
Base-Base interactions energy: -722.860
where: short stacking energy: -288.631
Base-Backbone interact. energy: 2.803
local terms energy: -296.960063
where:
bonds (distance) C4'-P energy: -61.071
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -73.211
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -77.446
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1199.663046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.663046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.063046 (E_RNA)
where:
Base-Base interactions energy: -697.642
where: short stacking energy: -278.303
Base-Backbone interact. energy: 2.304
local terms energy: -311.725833
where:
bonds (distance) C4'-P energy: -61.763
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -69.204
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -77.128
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. 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: -1106.582268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.582268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.782268 (E_RNA)
where:
Base-Base interactions energy: -621.077
where: short stacking energy: -246.212
Base-Backbone interact. energy: 0.265
local terms energy: -285.970242
where:
bonds (distance) C4'-P energy: -69.258
bonds (distance) P-C4' energy: -56.548
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -61.029
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1018.105647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.105647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.105647 (E_RNA)
where:
Base-Base interactions energy: -594.146
where: short stacking energy: -230.220
Base-Backbone interact. energy: 3.907
local terms energy: -238.867291
where:
bonds (distance) C4'-P energy: -57.708
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -48.163
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. 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: -1015.597049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.597049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.797049 (E_RNA)
where:
Base-Base interactions energy: -586.272
where: short stacking energy: -222.387
Base-Backbone interact. energy: -1.619
local terms energy: -245.905882
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -55.766
flat angles C4'-P-C4' energy: -53.995
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1459.230387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.230387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.430387 (E_RNA)
where:
Base-Base interactions energy: -861.785
where: short stacking energy: -339.711
Base-Backbone interact. energy: -3.659
local terms energy: -375.986363
where:
bonds (distance) C4'-P energy: -71.974
bonds (distance) P-C4' energy: -77.201
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -93.682
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1436.451096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.451096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.451096 (E_RNA)
where:
Base-Base interactions energy: -861.132
where: short stacking energy: -346.424
Base-Backbone interact. energy: -1.808
local terms energy: -357.510316
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -72.937
flat angles C4'-P-C4' energy: -85.956
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -89.896
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1418.166333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.166333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.166333 (E_RNA)
where:
Base-Base interactions energy: -853.345
where: short stacking energy: -346.251
Base-Backbone interact. energy: -0.202
local terms energy: -357.619268
where:
bonds (distance) C4'-P energy: -66.745
bonds (distance) P-C4' energy: -73.170
flat angles C4'-P-C4' energy: -82.859
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -88.117
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1309.239434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.239434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.039434 (E_RNA)
where:
Base-Base interactions energy: -747.328
where: short stacking energy: -300.750
Base-Backbone interact. energy: -2.196
local terms energy: -354.515776
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -75.895
flat angles C4'-P-C4' energy: -73.498
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -86.333
Dist. restrs. and SS energy: -205.200 (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: 391
Temperature: 1.100000
Total energy: -1292.622944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.622944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.222944 (E_RNA)
where:
Base-Base interactions energy: -741.544
where: short stacking energy: -294.365
Base-Backbone interact. energy: -2.186
local terms energy: -336.492830
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -67.575
flat angles C4'-P-C4' energy: -75.091
flat angles P-C4'-P energy: -48.830
tors. eta vs tors. theta energy: -73.794
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1242.864203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.864203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.064203 (E_RNA)
where:
Base-Base interactions energy: -730.935
where: short stacking energy: -307.490
Base-Backbone interact. energy: -1.617
local terms energy: -310.512567
where:
bonds (distance) C4'-P energy: -58.629
bonds (distance) P-C4' energy: -58.772
flat angles C4'-P-C4' energy: -70.808
flat angles P-C4'-P energy: -44.606
tors. eta vs tors. theta energy: -77.698
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1187.402215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.402215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.202215 (E_RNA)
where:
Base-Base interactions energy: -701.228
where: short stacking energy: -285.591
Base-Backbone interact. energy: 0.457
local terms energy: -290.431283
where:
bonds (distance) C4'-P energy: -58.257
bonds (distance) P-C4' energy: -65.055
flat angles C4'-P-C4' energy: -70.124
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -72.280
Dist. restrs. and SS energy: -196.200 (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: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1111.548543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.548543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.348543 (E_RNA)
where:
Base-Base interactions energy: -622.587
where: short stacking energy: -240.285
Base-Backbone interact. energy: -1.434
local terms energy: -291.327301
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -69.264
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -53.749
tors. eta vs tors. theta energy: -47.608
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1034.882017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.882017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.282017 (E_RNA)
where:
Base-Base interactions energy: -579.385
where: short stacking energy: -241.494
Base-Backbone interact. energy: 3.398
local terms energy: -275.295603
where:
bonds (distance) C4'-P energy: -55.693
bonds (distance) P-C4' energy: -76.366
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -47.461
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1006.576816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.576816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.376816 (E_RNA)
where:
Base-Base interactions energy: -585.734
where: short stacking energy: -249.812
Base-Backbone interact. energy: -2.627
local terms energy: -231.015963
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -50.993
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -48.843
Dist. restrs. and SS energy: -187.200 (S_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: 392
Temperature: 0.900000
Total energy: -1468.224839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.224839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.024839 (E_RNA)
where:
Base-Base interactions energy: -873.682
where: short stacking energy: -347.775
Base-Backbone interact. energy: -0.369
local terms energy: -379.974637
where:
bonds (distance) C4'-P energy: -64.593
bonds (distance) P-C4' energy: -66.464
flat angles C4'-P-C4' energy: -83.793
flat angles P-C4'-P energy: -68.406
tors. eta vs tors. theta energy: -96.719
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1435.047217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.047217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.247217 (E_RNA)
where:
Base-Base interactions energy: -852.705
where: short stacking energy: -325.446
Base-Backbone interact. energy: -1.208
local terms energy: -372.334113
where:
bonds (distance) C4'-P energy: -74.313
bonds (distance) P-C4' energy: -80.990
flat angles C4'-P-C4' energy: -82.231
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -84.596
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1381.682024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.682024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.682024 (E_RNA)
where:
Base-Base interactions energy: -835.458
where: short stacking energy: -338.776
Base-Backbone interact. energy: -1.280
local terms energy: -337.944135
where:
bonds (distance) C4'-P energy: -72.327
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -93.173
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1307.408006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.408006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.408006 (E_RNA)
where:
Base-Base interactions energy: -765.434
where: short stacking energy: -324.177
Base-Backbone interact. energy: -0.447
local terms energy: -334.526779
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -73.703
flat angles C4'-P-C4' energy: -69.267
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -79.537
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1290.593470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.593470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.393470 (E_RNA)
where:
Base-Base interactions energy: -776.665
where: short stacking energy: -297.877
Base-Backbone interact. energy: -3.312
local terms energy: -314.415828
where:
bonds (distance) C4'-P energy: -69.781
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -73.980
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -57.598
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1254.642083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.642083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.842083 (E_RNA)
where:
Base-Base interactions energy: -729.204
where: short stacking energy: -281.219
Base-Backbone interact. energy: -2.318
local terms energy: -305.319735
where:
bonds (distance) C4'-P energy: -61.360
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -65.028
flat angles P-C4'-P energy: -46.060
tors. eta vs tors. theta energy: -70.769
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1193.297739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.297739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.297739 (E_RNA)
where:
Base-Base interactions energy: -665.550
where: short stacking energy: -269.138
Base-Backbone interact. energy: -1.397
local terms energy: -328.350931
where:
bonds (distance) C4'-P energy: -67.732
bonds (distance) P-C4' energy: -66.540
flat angles C4'-P-C4' energy: -66.695
flat angles P-C4'-P energy: -50.542
tors. eta vs tors. theta energy: -76.842
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1117.168961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.168961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.568961 (E_RNA)
where:
Base-Base interactions energy: -647.747
where: short stacking energy: -270.224
Base-Backbone interact. energy: 0.770
local terms energy: -277.592121
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -69.185
flat angles C4'-P-C4' energy: -60.222
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -62.667
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1024.909507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.909507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.109507 (E_RNA)
where:
Base-Base interactions energy: -580.138
where: short stacking energy: -243.299
Base-Backbone interact. energy: -2.738
local terms energy: -260.234170
where:
bonds (distance) C4'-P energy: -63.041
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -36.756
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1010.489802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.489802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.489802 (E_RNA)
where:
Base-Base interactions energy: -556.741
where: short stacking energy: -216.618
Base-Backbone interact. energy: -1.050
local terms energy: -272.698429
where:
bonds (distance) C4'-P energy: -66.350
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -56.460
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -50.254
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1473.082379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.082379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.282379 (E_RNA)
where:
Base-Base interactions energy: -862.167
where: short stacking energy: -351.922
Base-Backbone interact. energy: 0.568
local terms energy: -393.683255
where:
bonds (distance) C4'-P energy: -76.129
bonds (distance) P-C4' energy: -71.406
flat angles C4'-P-C4' energy: -83.802
flat angles P-C4'-P energy: -61.821
tors. eta vs tors. theta energy: -100.526
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1413.053188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.053188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.053188 (E_RNA)
where:
Base-Base interactions energy: -833.069
where: short stacking energy: -336.593
Base-Backbone interact. energy: -0.671
local terms energy: -372.313110
where:
bonds (distance) C4'-P energy: -75.044
bonds (distance) P-C4' energy: -69.124
flat angles C4'-P-C4' energy: -78.375
flat angles P-C4'-P energy: -56.514
tors. eta vs tors. theta energy: -93.257
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1378.655157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.655157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.855157 (E_RNA)
where:
Base-Base interactions energy: -799.359
where: short stacking energy: -322.212
Base-Backbone interact. energy: -2.319
local terms energy: -368.176297
where:
bonds (distance) C4'-P energy: -73.620
bonds (distance) P-C4' energy: -71.602
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -85.099
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1277.568398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.568398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.568398 (E_RNA)
where:
Base-Base interactions energy: -740.469
where: short stacking energy: -309.093
Base-Backbone interact. energy: 2.373
local terms energy: -341.473020
where:
bonds (distance) C4'-P energy: -56.496
bonds (distance) P-C4' energy: -62.094
flat angles C4'-P-C4' energy: -73.888
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -91.859
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1304.391268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.391268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.991268 (E_RNA)
where:
Base-Base interactions energy: -759.707
where: short stacking energy: -314.737
Base-Backbone interact. energy: 1.212
local terms energy: -342.496034
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -65.411
flat angles C4'-P-C4' energy: -73.363
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -84.712
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1230.596879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.596879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.596879 (E_RNA)
where:
Base-Base interactions energy: -715.628
where: short stacking energy: -285.195
Base-Backbone interact. energy: -1.428
local terms energy: -297.540927
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -59.923
flat angles C4'-P-C4' energy: -67.241
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -66.409
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1225.866573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.866573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.466573 (E_RNA)
where:
Base-Base interactions energy: -723.338
where: short stacking energy: -297.400
Base-Backbone interact. energy: -1.151
local terms energy: -306.978328
where:
bonds (distance) C4'-P energy: -57.469
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -67.558
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -79.758
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -1115.250601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.050601 (E_RNA)
where:
Base-Base interactions energy: -642.602
where: short stacking energy: -254.842
Base-Backbone interact. energy: 6.852
local terms energy: -283.299860
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -65.691
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -59.697
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1017.448488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.448488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.048488 (E_RNA)
where:
Base-Base interactions energy: -568.209
where: short stacking energy: -216.971
Base-Backbone interact. energy: 0.981
local terms energy: -264.819804
where:
bonds (distance) C4'-P energy: -56.304
bonds (distance) P-C4' energy: -60.028
flat angles C4'-P-C4' energy: -59.887
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -43.819
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1019.971935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.971935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.371935 (E_RNA)
where:
Base-Base interactions energy: -580.703
where: short stacking energy: -241.899
Base-Backbone interact. energy: -0.627
local terms energy: -255.042017
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -65.282
flat angles C4'-P-C4' energy: -63.981
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -46.183
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1484.647340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.647340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.447340 (E_RNA)
where:
Base-Base interactions energy: -872.809
where: short stacking energy: -335.666
Base-Backbone interact. energy: -3.337
local terms energy: -394.301448
where:
bonds (distance) C4'-P energy: -74.530
bonds (distance) P-C4' energy: -78.835
flat angles C4'-P-C4' energy: -88.109
flat angles P-C4'-P energy: -58.410
tors. eta vs tors. theta energy: -94.418
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1409.278129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.278129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.878129 (E_RNA)
where:
Base-Base interactions energy: -846.277
where: short stacking energy: -346.973
Base-Backbone interact. energy: -1.952
local terms energy: -357.649080
where:
bonds (distance) C4'-P energy: -63.498
bonds (distance) P-C4' energy: -73.107
flat angles C4'-P-C4' energy: -81.495
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -88.524
Dist. restrs. and SS energy: -203.400 (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: 394
Temperature: 1.000000
Total energy: -1387.560850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.560850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.360850 (E_RNA)
where:
Base-Base interactions energy: -822.474
where: short stacking energy: -343.647
Base-Backbone interact. energy: 2.995
local terms energy: -362.881712
where:
bonds (distance) C4'-P energy: -74.453
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -75.661
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -90.226
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1297.710797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.710797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.110797 (E_RNA)
where:
Base-Base interactions energy: -750.103
where: short stacking energy: -320.107
Base-Backbone interact. energy: 4.229
local terms energy: -350.236668
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -61.729
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -50.552
tors. eta vs tors. theta energy: -85.852
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1292.181444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.181444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.181444 (E_RNA)
where:
Base-Base interactions energy: -750.229
where: short stacking energy: -297.222
Base-Backbone interact. energy: 0.725
local terms energy: -326.677724
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -70.641
flat angles C4'-P-C4' energy: -71.903
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -75.480
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1261.930598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.930598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.530598 (E_RNA)
where:
Base-Base interactions energy: -750.299
where: short stacking energy: -309.415
Base-Backbone interact. energy: -2.288
local terms energy: -305.943933
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -39.374
tors. eta vs tors. theta energy: -84.274
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1200.441177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.441177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.441177 (E_RNA)
where:
Base-Base interactions energy: -689.064
where: short stacking energy: -268.433
Base-Backbone interact. energy: -2.036
local terms energy: -311.340409
where:
bonds (distance) C4'-P energy: -61.532
bonds (distance) P-C4' energy: -55.070
flat angles C4'-P-C4' energy: -64.810
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -78.255
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1104.752971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.752971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.952971 (E_RNA)
where:
Base-Base interactions energy: -609.606
where: short stacking energy: -270.531
Base-Backbone interact. energy: -1.819
local terms energy: -293.527727
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -69.289
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -63.791
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1016.277480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.277480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.877480 (E_RNA)
where:
Base-Base interactions energy: -589.662
where: short stacking energy: -238.259
Base-Backbone interact. energy: 0.295
local terms energy: -241.510357
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -38.988
tors. eta vs tors. theta energy: -39.827
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1049.208815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.208815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.808815 (E_RNA)
where:
Base-Base interactions energy: -596.257
where: short stacking energy: -238.813
Base-Backbone interact. energy: -1.490
local terms energy: -275.062788
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -71.568
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -57.892
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1463.751944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.751944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.551944 (E_RNA)
where:
Base-Base interactions energy: -872.279
where: short stacking energy: -343.405
Base-Backbone interact. energy: -1.658
local terms energy: -375.615127
where:
bonds (distance) C4'-P energy: -77.201
bonds (distance) P-C4' energy: -70.505
flat angles C4'-P-C4' energy: -78.470
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: -98.231
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1410.645677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.645677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.645677 (E_RNA)
where:
Base-Base interactions energy: -826.332
where: short stacking energy: -343.936
Base-Backbone interact. energy: -1.720
local terms energy: -375.594251
where:
bonds (distance) C4'-P energy: -75.060
bonds (distance) P-C4' energy: -73.041
flat angles C4'-P-C4' energy: -82.781
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -97.904
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1369.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.343900 (E_RNA)
where:
Base-Base interactions energy: -821.729
where: short stacking energy: -327.570
Base-Backbone interact. energy: 3.035
local terms energy: -341.649933
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -70.483
flat angles C4'-P-C4' energy: -69.907
flat angles P-C4'-P energy: -58.451
tors. eta vs tors. theta energy: -82.467
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1294.977747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.977747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.977747 (E_RNA)
where:
Base-Base interactions energy: -765.075
where: short stacking energy: -313.721
Base-Backbone interact. energy: -1.584
local terms energy: -330.319343
where:
bonds (distance) C4'-P energy: -58.432
bonds (distance) P-C4' energy: -73.832
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -81.834
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1280.526476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.526476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.526476 (E_RNA)
where:
Base-Base interactions energy: -741.518
where: short stacking energy: -313.196
Base-Backbone interact. energy: -1.215
local terms energy: -321.793019
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -71.169
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -71.904
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1221.278834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.278834 (E_RNA)
where:
Base-Base interactions energy: -705.095
where: short stacking energy: -293.480
Base-Backbone interact. energy: -2.205
local terms energy: -315.978569
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -64.991
flat angles C4'-P-C4' energy: -62.264
flat angles P-C4'-P energy: -55.641
tors. eta vs tors. theta energy: -74.294
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1236.985749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.985749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.185749 (E_RNA)
where:
Base-Base interactions energy: -707.429
where: short stacking energy: -279.455
Base-Backbone interact. energy: -0.393
local terms energy: -329.363740
where:
bonds (distance) C4'-P energy: -64.245
bonds (distance) P-C4' energy: -51.057
flat angles C4'-P-C4' energy: -72.486
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -87.287
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1126.101197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.101197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.101197 (E_RNA)
where:
Base-Base interactions energy: -647.804
where: short stacking energy: -265.089
Base-Backbone interact. energy: 1.095
local terms energy: -290.392800
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: -47.133
Dist. restrs. and SS energy: -189.000 (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: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1026.482220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.482220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.682220 (E_RNA)
where:
Base-Base interactions energy: -577.203
where: short stacking energy: -243.678
Base-Backbone interact. energy: -1.043
local terms energy: -266.435621
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -66.136
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -39.101
tors. eta vs tors. theta energy: -51.648
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -995.767967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.767967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.367967 (E_RNA)
where:
Base-Base interactions energy: -567.247
where: short stacking energy: -222.551
Base-Backbone interact. energy: -2.282
local terms energy: -249.839565
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -57.708
flat angles C4'-P-C4' energy: -59.931
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1465.178336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.178336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.178336 (E_RNA)
where:
Base-Base interactions energy: -882.939
where: short stacking energy: -344.341
Base-Backbone interact. energy: -1.748
local terms energy: -364.491592
where:
bonds (distance) C4'-P energy: -69.309
bonds (distance) P-C4' energy: -62.012
flat angles C4'-P-C4' energy: -88.259
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: -92.087
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1393.215241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.215241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.015241 (E_RNA)
where:
Base-Base interactions energy: -814.351
where: short stacking energy: -343.468
Base-Backbone interact. energy: -2.856
local terms energy: -370.807605
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -81.925
flat angles C4'-P-C4' energy: -72.178
flat angles P-C4'-P energy: -61.857
tors. eta vs tors. theta energy: -93.873
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1334.980479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.980479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.580479 (E_RNA)
where:
Base-Base interactions energy: -799.605
where: short stacking energy: -337.653
Base-Backbone interact. energy: 1.447
local terms energy: -333.422866
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -54.302
tors. eta vs tors. theta energy: -86.346
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1361.443650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.443650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.843650 (E_RNA)
where:
Base-Base interactions energy: -791.131
where: short stacking energy: -304.245
Base-Backbone interact. energy: -1.025
local terms energy: -358.687631
where:
bonds (distance) C4'-P energy: -67.636
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -89.516
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1239.608407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.608407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.208407 (E_RNA)
where:
Base-Base interactions energy: -726.463
where: short stacking energy: -299.460
Base-Backbone interact. energy: -1.218
local terms energy: -317.527788
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -47.227
tors. eta vs tors. theta energy: -70.383
Dist. restrs. and SS energy: -194.400 (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: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1250.408653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.408653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.208653 (E_RNA)
where:
Base-Base interactions energy: -726.571
where: short stacking energy: -275.862
Base-Backbone interact. energy: -0.368
local terms energy: -318.269218
where:
bonds (distance) C4'-P energy: -64.171
bonds (distance) P-C4' energy: -67.267
flat angles C4'-P-C4' energy: -73.784
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: -59.853
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1216.398688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.398688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.598688 (E_RNA)
where:
Base-Base interactions energy: -720.960
where: short stacking energy: -287.456
Base-Backbone interact. energy: -2.173
local terms energy: -293.464941
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -72.335
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1117.730498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.730498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.930498 (E_RNA)
where:
Base-Base interactions energy: -638.957
where: short stacking energy: -265.104
Base-Backbone interact. energy: -1.068
local terms energy: -277.905616
where:
bonds (distance) C4'-P energy: -55.010
bonds (distance) P-C4' energy: -62.088
flat angles C4'-P-C4' energy: -58.444
flat angles P-C4'-P energy: -42.881
tors. eta vs tors. theta energy: -59.483
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1050.834731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.834731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.434731 (E_RNA)
where:
Base-Base interactions energy: -602.995
where: short stacking energy: -243.940
Base-Backbone interact. energy: -2.145
local terms energy: -260.295078
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -53.636
flat angles C4'-P-C4' energy: -69.238
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -39.974
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1017.104201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.104201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.904201 (E_RNA)
where:
Base-Base interactions energy: -571.522
where: short stacking energy: -209.993
Base-Backbone interact. energy: -1.579
local terms energy: -265.803063
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -56.069
Dist. restrs. and SS energy: -178.200 (S_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: 397
Temperature: 0.900000
Total energy: -1461.776885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.776885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.576885 (E_RNA)
where:
Base-Base interactions energy: -868.300
where: short stacking energy: -345.238
Base-Backbone interact. energy: -0.402
local terms energy: -378.875251
where:
bonds (distance) C4'-P energy: -73.685
bonds (distance) P-C4' energy: -74.210
flat angles C4'-P-C4' energy: -85.224
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -87.957
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1404.115681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.115681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.115681 (E_RNA)
where:
Base-Base interactions energy: -825.681
where: short stacking energy: -342.549
Base-Backbone interact. energy: -3.812
local terms energy: -367.622106
where:
bonds (distance) C4'-P energy: -59.029
bonds (distance) P-C4' energy: -75.632
flat angles C4'-P-C4' energy: -83.498
flat angles P-C4'-P energy: -57.313
tors. eta vs tors. theta energy: -92.149
Dist. restrs. and SS energy: -207.000 (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: 397
Temperature: 1.000000
Total energy: -1333.509351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.509351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.109351 (E_RNA)
where:
Base-Base interactions energy: -798.220
where: short stacking energy: -336.278
Base-Backbone interact. energy: 4.105
local terms energy: -335.994392
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -79.619
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -84.276
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1362.509309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.509309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.309309 (E_RNA)
where:
Base-Base interactions energy: -816.003
where: short stacking energy: -310.305
Base-Backbone interact. energy: -2.034
local terms energy: -339.271853
where:
bonds (distance) C4'-P energy: -65.051
bonds (distance) P-C4' energy: -71.495
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -87.206
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1251.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.419139 (E_RNA)
where:
Base-Base interactions energy: -727.118
where: short stacking energy: -287.921
Base-Backbone interact. energy: -1.312
local terms energy: -326.988989
where:
bonds (distance) C4'-P energy: -64.767
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -70.426
flat angles P-C4'-P energy: -49.839
tors. eta vs tors. theta energy: -72.528
Dist. restrs. and SS energy: -196.200 (S_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: 397
Temperature: 1.150000
Total energy: -1236.842829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.842829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.842829 (E_RNA)
where:
Base-Base interactions energy: -718.509
where: short stacking energy: -285.909
Base-Backbone interact. energy: -2.883
local terms energy: -317.450704
where:
bonds (distance) C4'-P energy: -64.297
bonds (distance) P-C4' energy: -59.708
flat angles C4'-P-C4' energy: -75.134
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: -75.670
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1191.206750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.206750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.406750 (E_RNA)
where:
Base-Base interactions energy: -681.892
where: short stacking energy: -289.323
Base-Backbone interact. energy: -0.339
local terms energy: -309.176315
where:
bonds (distance) C4'-P energy: -69.527
bonds (distance) P-C4' energy: -71.452
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -62.068
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1125.725514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.725514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.125514 (E_RNA)
where:
Base-Base interactions energy: -642.412
where: short stacking energy: -277.417
Base-Backbone interact. energy: -0.697
local terms energy: -281.015719
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -74.040
flat angles C4'-P-C4' energy: -64.398
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: -201.600 (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: 397
Temperature: 1.300000
Total energy: -1056.975764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.975764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.375764 (E_RNA)
where:
Base-Base interactions energy: -618.675
where: short stacking energy: -267.575
Base-Backbone interact. energy: -2.839
local terms energy: -260.862076
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -67.607
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -55.996
Dist. restrs. and SS energy: -174.600 (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: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1005.100930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.100930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.900930 (E_RNA)
where:
Base-Base interactions energy: -573.921
where: short stacking energy: -235.056
Base-Backbone interact. energy: 1.326
local terms energy: -254.305710
where:
bonds (distance) C4'-P energy: -57.416
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -70.051
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: -178.200 (S_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: 398
Temperature: 0.900000
Total energy: -1458.388990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.388990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.988990 (E_RNA)
where:
Base-Base interactions energy: -870.163
where: short stacking energy: -344.461
Base-Backbone interact. energy: -3.064
local terms energy: -372.761928
where:
bonds (distance) C4'-P energy: -67.267
bonds (distance) P-C4' energy: -80.182
flat angles C4'-P-C4' energy: -77.826
flat angles P-C4'-P energy: -54.302
tors. eta vs tors. theta energy: -93.185
Dist. restrs. and SS energy: -212.400 (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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1394.234118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.234118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.234118 (E_RNA)
where:
Base-Base interactions energy: -823.973
where: short stacking energy: -337.266
Base-Backbone interact. energy: 4.216
local terms energy: -367.476347
where:
bonds (distance) C4'-P energy: -76.089
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -82.276
flat angles P-C4'-P energy: -46.977
tors. eta vs tors. theta energy: -89.275
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1346.163552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.163552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.563552 (E_RNA)
where:
Base-Base interactions energy: -806.561
where: short stacking energy: -321.127
Base-Backbone interact. energy: -3.132
local terms energy: -334.870714
where:
bonds (distance) C4'-P energy: -65.108
bonds (distance) P-C4' energy: -71.281
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -85.206
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1288.157600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.157600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.357600 (E_RNA)
where:
Base-Base interactions energy: -759.739
where: short stacking energy: -306.007
Base-Backbone interact. energy: -1.929
local terms energy: -326.689155
where:
bonds (distance) C4'-P energy: -75.600
bonds (distance) P-C4' energy: -64.218
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -77.600
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1280.120203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.120203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.520203 (E_RNA)
where:
Base-Base interactions energy: -737.654
where: short stacking energy: -302.163
Base-Backbone interact. energy: -2.275
local terms energy: -338.590753
where:
bonds (distance) C4'-P energy: -63.340
bonds (distance) P-C4' energy: -65.560
flat angles C4'-P-C4' energy: -79.618
flat angles P-C4'-P energy: -52.636
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: -201.600 (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: 398
Temperature: 1.150000
Total energy: -1278.708790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.708790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.908790 (E_RNA)
where:
Base-Base interactions energy: -741.247
where: short stacking energy: -293.392
Base-Backbone interact. energy: -3.116
local terms energy: -334.545311
where:
bonds (distance) C4'-P energy: -67.592
bonds (distance) P-C4' energy: -68.759
flat angles C4'-P-C4' energy: -74.595
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1198.975052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.975052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.775052 (E_RNA)
where:
Base-Base interactions energy: -713.155
where: short stacking energy: -277.617
Base-Backbone interact. energy: -0.665
local terms energy: -279.954590
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -29.924
tors. eta vs tors. theta energy: -66.674
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1110.244749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.244749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.444749 (E_RNA)
where:
Base-Base interactions energy: -620.425
where: short stacking energy: -241.696
Base-Backbone interact. energy: -0.249
local terms energy: -289.770656
where:
bonds (distance) C4'-P energy: -49.851
bonds (distance) P-C4' energy: -72.690
flat angles C4'-P-C4' energy: -78.737
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1065.450646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.450646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.650646 (E_RNA)
where:
Base-Base interactions energy: -592.554
where: short stacking energy: -214.431
Base-Backbone interact. energy: 1.174
local terms energy: -292.271418
where:
bonds (distance) C4'-P energy: -58.960
bonds (distance) P-C4' energy: -71.627
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1031.879092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.879092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.279092 (E_RNA)
where:
Base-Base interactions energy: -578.375
where: short stacking energy: -231.160
Base-Backbone interact. energy: -1.426
local terms energy: -268.478552
where:
bonds (distance) C4'-P energy: -67.812
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -30.843
tors. eta vs tors. theta energy: -57.322
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1464.810761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.810761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.010761 (E_RNA)
where:
Base-Base interactions energy: -868.868
where: short stacking energy: -355.827
Base-Backbone interact. energy: -6.425
local terms energy: -371.717328
where:
bonds (distance) C4'-P energy: -69.165
bonds (distance) P-C4' energy: -70.403
flat angles C4'-P-C4' energy: -70.583
flat angles P-C4'-P energy: -67.268
tors. eta vs tors. theta energy: -94.299
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1401.419113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.419113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.819113 (E_RNA)
where:
Base-Base interactions energy: -841.270
where: short stacking energy: -336.640
Base-Backbone interact. energy: -2.165
local terms energy: -347.384109
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -82.470
flat angles C4'-P-C4' energy: -69.386
flat angles P-C4'-P energy: -52.805
tors. eta vs tors. theta energy: -81.271
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1397.613174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.613174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.613174 (E_RNA)
where:
Base-Base interactions energy: -797.711
where: short stacking energy: -346.973
Base-Backbone interact. energy: -1.543
local terms energy: -391.359140
where:
bonds (distance) C4'-P energy: -77.322
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -89.778
flat angles P-C4'-P energy: -56.503
tors. eta vs tors. theta energy: -97.361
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1298.219733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.219733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.619733 (E_RNA)
where:
Base-Base interactions energy: -772.867
where: short stacking energy: -312.452
Base-Backbone interact. energy: -2.021
local terms energy: -321.731132
where:
bonds (distance) C4'-P energy: -59.447
bonds (distance) P-C4' energy: -72.305
flat angles C4'-P-C4' energy: -63.240
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -79.598
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1291.706277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.706277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.106277 (E_RNA)
where:
Base-Base interactions energy: -749.653
where: short stacking energy: -299.113
Base-Backbone interact. energy: 3.250
local terms energy: -343.703778
where:
bonds (distance) C4'-P energy: -66.334
bonds (distance) P-C4' energy: -72.571
flat angles C4'-P-C4' energy: -75.483
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -80.473
Dist. restrs. and SS energy: -201.600 (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: 399
Temperature: 1.150000
Total energy: -1274.927512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.927512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.727512 (E_RNA)
where:
Base-Base interactions energy: -745.318
where: short stacking energy: -287.815
Base-Backbone interact. energy: 2.290
local terms energy: -326.699870
where:
bonds (distance) C4'-P energy: -67.072
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -69.450
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1232.920965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.920965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.920965 (E_RNA)
where:
Base-Base interactions energy: -693.715
where: short stacking energy: -281.164
Base-Backbone interact. energy: -1.541
local terms energy: -321.665555
where:
bonds (distance) C4'-P energy: -62.408
bonds (distance) P-C4' energy: -66.805
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1123.915129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.915129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.115129 (E_RNA)
where:
Base-Base interactions energy: -620.127
where: short stacking energy: -244.991
Base-Backbone interact. energy: -1.460
local terms energy: -302.527933
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -72.919
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -64.440
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1058.706272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.306272 (E_RNA)
where:
Base-Base interactions energy: -611.510
where: short stacking energy: -243.473
Base-Backbone interact. energy: -0.002
local terms energy: -261.794500
where:
bonds (distance) C4'-P energy: -55.066
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -53.262
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1031.560192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.560192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.560192 (E_RNA)
where:
Base-Base interactions energy: -578.797
where: short stacking energy: -220.949
Base-Backbone interact. energy: -1.256
local terms energy: -262.506380
where:
bonds (distance) C4'-P energy: -69.035
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -57.615
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -55.204
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1431.379989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.379989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.179989 (E_RNA)
where:
Base-Base interactions energy: -863.257
where: short stacking energy: -347.270
Base-Backbone interact. energy: -2.509
local terms energy: -360.413824
where:
bonds (distance) C4'-P energy: -64.201
bonds (distance) P-C4' energy: -81.587
flat angles C4'-P-C4' energy: -85.028
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -81.645
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1428.928856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.928856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.928856 (E_RNA)
where:
Base-Base interactions energy: -862.183
where: short stacking energy: -335.862
Base-Backbone interact. energy: -1.487
local terms energy: -349.257973
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -70.008
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -86.165
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1383.709007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.709007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.509007 (E_RNA)
where:
Base-Base interactions energy: -824.737
where: short stacking energy: -343.137
Base-Backbone interact. energy: 0.137
local terms energy: -353.908995
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -71.509
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -97.377
Dist. restrs. and SS energy: -205.200 (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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1270.414886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.414886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.414886 (E_RNA)
where:
Base-Base interactions energy: -738.062
where: short stacking energy: -300.859
Base-Backbone interact. energy: 3.374
local terms energy: -337.726521
where:
bonds (distance) C4'-P energy: -68.397
bonds (distance) P-C4' energy: -70.836
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -80.896
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1310.083354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.083354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.683354 (E_RNA)
where:
Base-Base interactions energy: -765.170
where: short stacking energy: -342.747
Base-Backbone interact. energy: -0.894
local terms energy: -349.619223
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -61.308
flat angles C4'-P-C4' energy: -79.094
flat angles P-C4'-P energy: -55.172
tors. eta vs tors. theta energy: -89.776
Dist. restrs. and SS energy: -194.400 (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: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1254.471995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.471995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.071995 (E_RNA)
where:
Base-Base interactions energy: -724.334
where: short stacking energy: -298.988
Base-Backbone interact. energy: -0.475
local terms energy: -335.262657
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -74.755
flat angles C4'-P-C4' energy: -70.106
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -75.519
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1258.696960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.696960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.296960 (E_RNA)
where:
Base-Base interactions energy: -718.094
where: short stacking energy: -288.191
Base-Backbone interact. energy: -0.845
local terms energy: -327.357941
where:
bonds (distance) C4'-P energy: -64.007
bonds (distance) P-C4' energy: -70.899
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -72.296
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. 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: -1127.882831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.882831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.082831 (E_RNA)
where:
Base-Base interactions energy: -622.104
where: short stacking energy: -241.780
Base-Backbone interact. energy: 1.649
local terms energy: -307.628243
where:
bonds (distance) C4'-P energy: -73.607
bonds (distance) P-C4' energy: -61.440
flat angles C4'-P-C4' energy: -76.834
flat angles P-C4'-P energy: -45.601
tors. eta vs tors. theta energy: -50.147
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1071.305625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.305625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.905625 (E_RNA)
where:
Base-Base interactions energy: -591.008
where: short stacking energy: -221.408
Base-Backbone interact. energy: -2.101
local terms energy: -292.797089
where:
bonds (distance) C4'-P energy: -69.253
bonds (distance) P-C4' energy: -55.508
flat angles C4'-P-C4' energy: -65.176
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -51.746
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1028.309293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.309293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.309293 (E_RNA)
where:
Base-Base interactions energy: -598.124
where: short stacking energy: -231.307
Base-Backbone interact. energy: -1.119
local terms energy: -249.066137
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1457.559997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.559997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.959997 (E_RNA)
where:
Base-Base interactions energy: -878.664
where: short stacking energy: -352.740
Base-Backbone interact. energy: -3.524
local terms energy: -364.771754
where:
bonds (distance) C4'-P energy: -59.594
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -84.051
flat angles P-C4'-P energy: -55.348
tors. eta vs tors. theta energy: -96.176
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1417.359185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.359185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.159185 (E_RNA)
where:
Base-Base interactions energy: -853.792
where: short stacking energy: -325.943
Base-Backbone interact. energy: -2.767
local terms energy: -346.600387
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -75.555
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -87.230
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1386.070981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.070981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.070981 (E_RNA)
where:
Base-Base interactions energy: -814.605
where: short stacking energy: -337.928
Base-Backbone interact. energy: -3.093
local terms energy: -361.373436
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -81.046
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -95.333
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1335.998079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.998079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.998079 (E_RNA)
where:
Base-Base interactions energy: -772.342
where: short stacking energy: -331.149
Base-Backbone interact. energy: -1.413
local terms energy: -355.243246
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -77.347
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: -94.010
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1252.191967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.191967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.791967 (E_RNA)
where:
Base-Base interactions energy: -719.432
where: short stacking energy: -298.325
Base-Backbone interact. energy: -1.306
local terms energy: -337.053695
where:
bonds (distance) C4'-P energy: -76.175
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -73.689
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -89.182
Dist. restrs. and SS energy: -194.400 (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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1227.998336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.998336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.798336 (E_RNA)
where:
Base-Base interactions energy: -728.994
where: short stacking energy: -296.800
Base-Backbone interact. energy: -1.936
local terms energy: -282.868635
where:
bonds (distance) C4'-P energy: -65.604
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -62.757
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1209.859562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.859562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.259562 (E_RNA)
where:
Base-Base interactions energy: -713.566
where: short stacking energy: -278.160
Base-Backbone interact. energy: -0.847
local terms energy: -293.846794
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -66.596
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. 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: -1131.583241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.583241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.383241 (E_RNA)
where:
Base-Base interactions energy: -644.396
where: short stacking energy: -272.966
Base-Backbone interact. energy: -2.250
local terms energy: -288.737030
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -66.656
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -59.274
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1083.894694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.894694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.494694 (E_RNA)
where:
Base-Base interactions energy: -611.123
where: short stacking energy: -251.479
Base-Backbone interact. energy: -1.056
local terms energy: -286.315801
where:
bonds (distance) C4'-P energy: -55.699
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -80.922
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -62.855
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1015.703662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.703662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.503662 (E_RNA)
where:
Base-Base interactions energy: -559.723
where: short stacking energy: -242.661
Base-Backbone interact. energy: 0.861
local terms energy: -269.641852
where:
bonds (distance) C4'-P energy: -66.068
bonds (distance) P-C4' energy: -64.712
flat angles C4'-P-C4' energy: -60.157
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -56.393
Dist. restrs. and SS energy: -187.200 (S_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: 402
Temperature: 0.900000
Total energy: -1461.695711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.695711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.695711 (E_RNA)
where:
Base-Base interactions energy: -887.266
where: short stacking energy: -347.386
Base-Backbone interact. energy: -0.602
local terms energy: -357.827350
where:
bonds (distance) C4'-P energy: -73.038
bonds (distance) P-C4' energy: -74.979
flat angles C4'-P-C4' energy: -73.724
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -90.063
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1418.048602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.048602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.048602 (E_RNA)
where:
Base-Base interactions energy: -843.944
where: short stacking energy: -324.331
Base-Backbone interact. energy: -3.594
local terms energy: -363.510578
where:
bonds (distance) C4'-P energy: -69.775
bonds (distance) P-C4' energy: -73.301
flat angles C4'-P-C4' energy: -84.799
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -78.113
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1369.969820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.969820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.169820 (E_RNA)
where:
Base-Base interactions energy: -820.320
where: short stacking energy: -338.567
Base-Backbone interact. energy: -2.220
local terms energy: -338.629838
where:
bonds (distance) C4'-P energy: -59.291
bonds (distance) P-C4' energy: -63.442
flat angles C4'-P-C4' energy: -78.068
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -87.760
Dist. restrs. and SS energy: -208.800 (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: 402
Temperature: 1.050000
Total energy: -1365.331641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.331641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.531641 (E_RNA)
where:
Base-Base interactions energy: -793.250
where: short stacking energy: -334.130
Base-Backbone interact. energy: -1.645
local terms energy: -361.636897
where:
bonds (distance) C4'-P energy: -70.544
bonds (distance) P-C4' energy: -69.893
flat angles C4'-P-C4' energy: -79.780
flat angles P-C4'-P energy: -54.678
tors. eta vs tors. theta energy: -86.741
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1237.059193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.059193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.859193 (E_RNA)
where:
Base-Base interactions energy: -719.489
where: short stacking energy: -300.735
Base-Backbone interact. energy: -1.316
local terms energy: -311.054274
where:
bonds (distance) C4'-P energy: -53.185
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -65.966
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -75.438
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. 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: -1235.635484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.635484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.235484 (E_RNA)
where:
Base-Base interactions energy: -696.990
where: short stacking energy: -277.635
Base-Backbone interact. energy: -0.786
local terms energy: -325.459947
where:
bonds (distance) C4'-P energy: -64.486
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -78.203
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -68.123
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1189.266291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.266291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.866291 (E_RNA)
where:
Base-Base interactions energy: -686.440
where: short stacking energy: -275.138
Base-Backbone interact. energy: -0.516
local terms energy: -307.910434
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -54.391
flat angles C4'-P-C4' energy: -81.270
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -72.914
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. 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: -1136.382611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.382611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.182611 (E_RNA)
where:
Base-Base interactions energy: -645.089
where: short stacking energy: -268.132
Base-Backbone interact. energy: -2.084
local terms energy: -293.009190
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -71.341
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -62.707
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1049.857012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.857012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.257012 (E_RNA)
where:
Base-Base interactions energy: -579.134
where: short stacking energy: -226.497
Base-Backbone interact. energy: -0.846
local terms energy: -286.277058
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -64.392
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -54.580
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1014.055491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.055491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.055491 (E_RNA)
where:
Base-Base interactions energy: -567.467
where: short stacking energy: -228.352
Base-Backbone interact. energy: -1.837
local terms energy: -264.751436
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -54.031
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -46.649
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1456.234843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.234843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.634843 (E_RNA)
where:
Base-Base interactions energy: -867.609
where: short stacking energy: -323.485
Base-Backbone interact. energy: -3.109
local terms energy: -365.916948
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -77.758
flat angles C4'-P-C4' energy: -86.701
flat angles P-C4'-P energy: -51.406
tors. eta vs tors. theta energy: -83.898
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1441.001271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.001271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.001271 (E_RNA)
where:
Base-Base interactions energy: -859.958
where: short stacking energy: -343.728
Base-Backbone interact. energy: -1.963
local terms energy: -372.080702
where:
bonds (distance) C4'-P energy: -76.829
bonds (distance) P-C4' energy: -80.413
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -91.136
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1361.053656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.053656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.853656 (E_RNA)
where:
Base-Base interactions energy: -794.530
where: short stacking energy: -343.812
Base-Backbone interact. energy: -1.070
local terms energy: -360.254039
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -62.343
flat angles C4'-P-C4' energy: -84.615
flat angles P-C4'-P energy: -51.726
tors. eta vs tors. theta energy: -95.212
Dist. restrs. and SS energy: -205.200 (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: 403
Temperature: 1.050000
Total energy: -1355.891815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.891815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.491815 (E_RNA)
where:
Base-Base interactions energy: -800.916
where: short stacking energy: -335.114
Base-Backbone interact. energy: -3.195
local terms energy: -348.380226
where:
bonds (distance) C4'-P energy: -73.717
bonds (distance) P-C4' energy: -63.687
flat angles C4'-P-C4' energy: -70.859
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -96.241
Dist. restrs. and SS energy: -203.400 (S_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: 403
Temperature: 1.100000
Total energy: -1241.623238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.623238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.823238 (E_RNA)
where:
Base-Base interactions energy: -714.030
where: short stacking energy: -298.044
Base-Backbone interact. energy: 0.952
local terms energy: -328.745023
where:
bonds (distance) C4'-P energy: -69.444
bonds (distance) P-C4' energy: -63.567
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -43.317
tors. eta vs tors. theta energy: -74.820
Dist. restrs. and SS energy: -199.800 (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: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1227.382424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.382424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.582424 (E_RNA)
where:
Base-Base interactions energy: -704.710
where: short stacking energy: -288.388
Base-Backbone interact. energy: -1.056
local terms energy: -321.816025
where:
bonds (distance) C4'-P energy: -61.521
bonds (distance) P-C4' energy: -60.411
flat angles C4'-P-C4' energy: -82.717
flat angles P-C4'-P energy: -34.072
tors. eta vs tors. theta energy: -83.095
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1217.050722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.050722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.050722 (E_RNA)
where:
Base-Base interactions energy: -693.833
where: short stacking energy: -278.972
Base-Backbone interact. energy: 2.187
local terms energy: -309.404244
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -67.674
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -44.070
tors. eta vs tors. theta energy: -64.921
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1136.322257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.322257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.522257 (E_RNA)
where:
Base-Base interactions energy: -661.526
where: short stacking energy: -269.203
Base-Backbone interact. energy: -1.847
local terms energy: -273.148949
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -72.164
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -61.568
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1075.999683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.999683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.999683 (E_RNA)
where:
Base-Base interactions energy: -601.555
where: short stacking energy: -244.426
Base-Backbone interact. energy: 4.187
local terms energy: -298.631523
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -51.565
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -44.760
tors. eta vs tors. theta energy: -67.154
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1057.846289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.846289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.646289 (E_RNA)
where:
Base-Base interactions energy: -591.781
where: short stacking energy: -245.127
Base-Backbone interact. energy: -2.194
local terms energy: -285.670767
where:
bonds (distance) C4'-P energy: -61.325
bonds (distance) P-C4' energy: -60.909
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -46.676
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1450.234765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.234765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.234765 (E_RNA)
where:
Base-Base interactions energy: -882.646
where: short stacking energy: -352.928
Base-Backbone interact. energy: -3.247
local terms energy: -357.341888
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -87.068
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -88.795
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1422.267920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.267920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.067920 (E_RNA)
where:
Base-Base interactions energy: -836.887
where: short stacking energy: -328.438
Base-Backbone interact. energy: -1.627
local terms energy: -369.554522
where:
bonds (distance) C4'-P energy: -73.416
bonds (distance) P-C4' energy: -79.326
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -47.804
tors. eta vs tors. theta energy: -86.261
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1366.581808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.581808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.381808 (E_RNA)
where:
Base-Base interactions energy: -806.002
where: short stacking energy: -325.557
Base-Backbone interact. energy: -1.129
local terms energy: -354.250158
where:
bonds (distance) C4'-P energy: -59.206
bonds (distance) P-C4' energy: -71.930
flat angles C4'-P-C4' energy: -82.857
flat angles P-C4'-P energy: -51.917
tors. eta vs tors. theta energy: -88.340
Dist. restrs. and SS energy: -205.200 (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: 404
Temperature: 1.050000
Total energy: -1348.737041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.737041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.337041 (E_RNA)
where:
Base-Base interactions energy: -796.483
where: short stacking energy: -324.978
Base-Backbone interact. energy: -2.218
local terms energy: -346.635473
where:
bonds (distance) C4'-P energy: -63.836
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -85.842
Dist. restrs. and SS energy: -203.400 (S_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: 404
Temperature: 1.100000
Total energy: -1274.044731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.044731 (E_RNA)
where:
Base-Base interactions energy: -742.679
where: short stacking energy: -293.238
Base-Backbone interact. energy: -3.532
local terms energy: -329.834069
where:
bonds (distance) C4'-P energy: -67.423
bonds (distance) P-C4' energy: -67.889
flat angles C4'-P-C4' energy: -60.657
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -80.771
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1243.029615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.029615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.829615 (E_RNA)
where:
Base-Base interactions energy: -720.423
where: short stacking energy: -277.326
Base-Backbone interact. energy: -1.048
local terms energy: -316.358961
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -60.524
flat angles C4'-P-C4' energy: -65.540
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -74.105
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1202.296500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.296500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.096500 (E_RNA)
where:
Base-Base interactions energy: -685.350
where: short stacking energy: -269.664
Base-Backbone interact. energy: -0.854
local terms energy: -310.892889
where:
bonds (distance) C4'-P energy: -66.336
bonds (distance) P-C4' energy: -65.405
flat angles C4'-P-C4' energy: -61.287
flat angles P-C4'-P energy: -49.296
tors. eta vs tors. theta energy: -68.570
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1142.470538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.470538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.270538 (E_RNA)
where:
Base-Base interactions energy: -653.812
where: short stacking energy: -275.805
Base-Backbone interact. energy: -1.121
local terms energy: -291.337071
where:
bonds (distance) C4'-P energy: -62.856
bonds (distance) P-C4' energy: -61.841
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -63.821
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1063.880271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.880271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.680271 (E_RNA)
where:
Base-Base interactions energy: -603.751
where: short stacking energy: -249.023
Base-Backbone interact. energy: -0.642
local terms energy: -272.286774
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -61.721
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -65.495
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1036.405094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.405094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.205094 (E_RNA)
where:
Base-Base interactions energy: -553.072
where: short stacking energy: -227.027
Base-Backbone interact. energy: -2.789
local terms energy: -293.343584
where:
bonds (distance) C4'-P energy: -69.872
bonds (distance) P-C4' energy: -70.639
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -52.245
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1451.701513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.701513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.901513 (E_RNA)
where:
Base-Base interactions energy: -865.624
where: short stacking energy: -342.530
Base-Backbone interact. energy: -4.002
local terms energy: -373.275579
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -71.085
flat angles C4'-P-C4' energy: -81.216
flat angles P-C4'-P energy: -57.547
tors. eta vs tors. theta energy: -94.426
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1414.481374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.481374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.681374 (E_RNA)
where:
Base-Base interactions energy: -840.004
where: short stacking energy: -339.868
Base-Backbone interact. energy: -2.391
local terms energy: -363.286128
where:
bonds (distance) C4'-P energy: -68.108
bonds (distance) P-C4' energy: -78.282
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -49.077
tors. eta vs tors. theta energy: -87.335
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1371.427520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.427520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.227520 (E_RNA)
where:
Base-Base interactions energy: -801.004
where: short stacking energy: -332.035
Base-Backbone interact. energy: -1.574
local terms energy: -363.649533
where:
bonds (distance) C4'-P energy: -64.182
bonds (distance) P-C4' energy: -79.179
flat angles C4'-P-C4' energy: -76.377
flat angles P-C4'-P energy: -55.016
tors. eta vs tors. theta energy: -88.895
Dist. restrs. and SS energy: -205.200 (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: 405
Temperature: 1.050000
Total energy: -1351.371172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.371172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.371172 (E_RNA)
where:
Base-Base interactions energy: -805.679
where: short stacking energy: -330.347
Base-Backbone interact. energy: 1.577
local terms energy: -340.269589
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -64.871
flat angles C4'-P-C4' energy: -72.826
flat angles P-C4'-P energy: -48.807
tors. eta vs tors. theta energy: -82.342
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1250.414319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.414319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.614319 (E_RNA)
where:
Base-Base interactions energy: -723.967
where: short stacking energy: -314.675
Base-Backbone interact. energy: 2.663
local terms energy: -329.310510
where:
bonds (distance) C4'-P energy: -64.264
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -74.910
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -78.919
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1244.940277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.940277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.540277 (E_RNA)
where:
Base-Base interactions energy: -712.317
where: short stacking energy: -281.288
Base-Backbone interact. energy: -2.496
local terms energy: -317.727308
where:
bonds (distance) C4'-P energy: -66.816
bonds (distance) P-C4' energy: -66.370
flat angles C4'-P-C4' energy: -68.385
flat angles P-C4'-P energy: -48.056
tors. eta vs tors. theta energy: -68.101
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1186.714277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.714277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.914277 (E_RNA)
where:
Base-Base interactions energy: -669.764
where: short stacking energy: -281.744
Base-Backbone interact. energy: 0.148
local terms energy: -317.298406
where:
bonds (distance) C4'-P energy: -62.214
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -81.039
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1131.965070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.965070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.765070 (E_RNA)
where:
Base-Base interactions energy: -649.746
where: short stacking energy: -269.738
Base-Backbone interact. energy: -1.663
local terms energy: -284.355605
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -61.666
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -68.397
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1068.471276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.471276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.071276 (E_RNA)
where:
Base-Base interactions energy: -600.470
where: short stacking energy: -249.576
Base-Backbone interact. energy: -0.650
local terms energy: -281.951181
where:
bonds (distance) C4'-P energy: -53.402
bonds (distance) P-C4' energy: -62.513
flat angles C4'-P-C4' energy: -72.214
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -59.377
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -994.274583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.274583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.674583 (E_RNA)
where:
Base-Base interactions energy: -553.501
where: short stacking energy: -223.865
Base-Backbone interact. energy: -2.782
local terms energy: -254.390960
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -62.577
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -47.041
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1431.273800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.273800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.673800 (E_RNA)
where:
Base-Base interactions energy: -853.739
where: short stacking energy: -344.083
Base-Backbone interact. energy: -0.665
local terms energy: -366.269901
where:
bonds (distance) C4'-P energy: -74.099
bonds (distance) P-C4' energy: -66.494
flat angles C4'-P-C4' energy: -82.635
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -101.495
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1423.883525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.883525 (E_RNA)
where:
Base-Base interactions energy: -850.191
where: short stacking energy: -346.832
Base-Backbone interact. energy: -3.872
local terms energy: -353.820359
where:
bonds (distance) C4'-P energy: -73.374
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -68.650
flat angles P-C4'-P energy: -54.833
tors. eta vs tors. theta energy: -97.799
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1372.104728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.104728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.304728 (E_RNA)
where:
Base-Base interactions energy: -799.903
where: short stacking energy: -317.475
Base-Backbone interact. energy: -2.538
local terms energy: -360.863595
where:
bonds (distance) C4'-P energy: -73.886
bonds (distance) P-C4' energy: -79.924
flat angles C4'-P-C4' energy: -79.643
flat angles P-C4'-P energy: -46.694
tors. eta vs tors. theta energy: -80.717
Dist. restrs. and SS energy: -208.800 (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: 406
Temperature: 1.050000
Total energy: -1358.022728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.022728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.022728 (E_RNA)
where:
Base-Base interactions energy: -792.427
where: short stacking energy: -338.640
Base-Backbone interact. energy: -0.066
local terms energy: -358.529567
where:
bonds (distance) C4'-P energy: -60.950
bonds (distance) P-C4' energy: -70.798
flat angles C4'-P-C4' energy: -79.406
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: -97.208
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1277.296656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.296656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.296656 (E_RNA)
where:
Base-Base interactions energy: -726.082
where: short stacking energy: -299.151
Base-Backbone interact. energy: -2.918
local terms energy: -332.296962
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -65.568
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -85.989
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1212.235720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.235720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.435720 (E_RNA)
where:
Base-Base interactions energy: -705.945
where: short stacking energy: -289.567
Base-Backbone interact. energy: 0.603
local terms energy: -307.093650
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -57.626
flat angles C4'-P-C4' energy: -74.783
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -71.914
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1179.001752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.001752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.401752 (E_RNA)
where:
Base-Base interactions energy: -700.589
where: short stacking energy: -276.641
Base-Backbone interact. energy: 1.075
local terms energy: -277.887531
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -67.344
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -63.572
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1121.181835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.181835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.381835 (E_RNA)
where:
Base-Base interactions energy: -648.830
where: short stacking energy: -265.876
Base-Backbone interact. energy: -0.102
local terms energy: -281.450102
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -69.896
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: -67.474
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1038.367604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.367604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.567604 (E_RNA)
where:
Base-Base interactions energy: -564.267
where: short stacking energy: -235.995
Base-Backbone interact. energy: 1.272
local terms energy: -293.572631
where:
bonds (distance) C4'-P energy: -61.259
bonds (distance) P-C4' energy: -60.096
flat angles C4'-P-C4' energy: -69.735
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -59.039
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1046.190237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.190237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.590237 (E_RNA)
where:
Base-Base interactions energy: -601.962
where: short stacking energy: -225.175
Base-Backbone interact. energy: 5.234
local terms energy: -265.861762
where:
bonds (distance) C4'-P energy: -48.117
bonds (distance) P-C4' energy: -61.296
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -52.744
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1448.009106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.009106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.009106 (E_RNA)
where:
Base-Base interactions energy: -849.172
where: short stacking energy: -378.395
Base-Backbone interact. energy: -1.233
local terms energy: -390.604770
where:
bonds (distance) C4'-P energy: -68.845
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -86.254
flat angles P-C4'-P energy: -56.694
tors. eta vs tors. theta energy: -96.019
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1445.918467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.918467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.518467 (E_RNA)
where:
Base-Base interactions energy: -875.878
where: short stacking energy: -337.275
Base-Backbone interact. energy: -2.858
local terms energy: -354.782497
where:
bonds (distance) C4'-P energy: -74.301
bonds (distance) P-C4' energy: -69.976
flat angles C4'-P-C4' energy: -68.554
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -93.668
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1375.009092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.009092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.009092 (E_RNA)
where:
Base-Base interactions energy: -807.787
where: short stacking energy: -340.304
Base-Backbone interact. energy: -1.296
local terms energy: -358.925589
where:
bonds (distance) C4'-P energy: -67.761
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -85.301
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -85.328
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1351.760482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.760482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.560482 (E_RNA)
where:
Base-Base interactions energy: -787.207
where: short stacking energy: -315.949
Base-Backbone interact. energy: -0.809
local terms energy: -358.544169
where:
bonds (distance) C4'-P energy: -63.102
bonds (distance) P-C4' energy: -74.859
flat angles C4'-P-C4' energy: -73.903
flat angles P-C4'-P energy: -63.307
tors. eta vs tors. theta energy: -83.372
Dist. restrs. and SS energy: -205.200 (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: 407
Temperature: 1.100000
Total energy: -1305.357199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.357199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.157199 (E_RNA)
where:
Base-Base interactions energy: -743.204
where: short stacking energy: -310.207
Base-Backbone interact. energy: -1.859
local terms energy: -346.094014
where:
bonds (distance) C4'-P energy: -74.724
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -76.570
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -82.644
Dist. restrs. and SS energy: -214.200 (S_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: 407
Temperature: 1.150000
Total energy: -1233.458283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.458283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.058283 (E_RNA)
where:
Base-Base interactions energy: -710.732
where: short stacking energy: -281.018
Base-Backbone interact. energy: 1.363
local terms energy: -329.689197
where:
bonds (distance) C4'-P energy: -66.340
bonds (distance) P-C4' energy: -69.417
flat angles C4'-P-C4' energy: -72.431
flat angles P-C4'-P energy: -52.169
tors. eta vs tors. theta energy: -69.332
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1167.578883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.578883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.178883 (E_RNA)
where:
Base-Base interactions energy: -685.175
where: short stacking energy: -258.028
Base-Backbone interact. energy: -1.283
local terms energy: -286.721279
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -75.977
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -55.701
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1140.607383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.607383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.407383 (E_RNA)
where:
Base-Base interactions energy: -642.358
where: short stacking energy: -266.893
Base-Backbone interact. energy: 7.424
local terms energy: -309.473685
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -75.001
flat angles C4'-P-C4' energy: -72.600
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -59.538
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1038.885960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.885960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.285960 (E_RNA)
where:
Base-Base interactions energy: -590.248
where: short stacking energy: -227.712
Base-Backbone interact. energy: -1.615
local terms energy: -263.422992
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1035.446544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.446544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.846544 (E_RNA)
where:
Base-Base interactions energy: -589.971
where: short stacking energy: -225.904
Base-Backbone interact. energy: 0.006
local terms energy: -261.882018
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -68.261
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -40.555
tors. eta vs tors. theta energy: -48.285
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1457.762432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.762432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.962432 (E_RNA)
where:
Base-Base interactions energy: -874.774
where: short stacking energy: -329.637
Base-Backbone interact. energy: -1.748
local terms energy: -363.440486
where:
bonds (distance) C4'-P energy: -77.844
bonds (distance) P-C4' energy: -67.703
flat angles C4'-P-C4' energy: -71.156
flat angles P-C4'-P energy: -58.110
tors. eta vs tors. theta energy: -88.628
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1409.393253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.393253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.793253 (E_RNA)
where:
Base-Base interactions energy: -826.953
where: short stacking energy: -352.746
Base-Backbone interact. energy: -0.444
local terms energy: -371.397092
where:
bonds (distance) C4'-P energy: -71.721
bonds (distance) P-C4' energy: -73.789
flat angles C4'-P-C4' energy: -85.531
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -91.596
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1376.596049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.596049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.196049 (E_RNA)
where:
Base-Base interactions energy: -807.037
where: short stacking energy: -325.546
Base-Backbone interact. energy: -0.307
local terms energy: -365.851580
where:
bonds (distance) C4'-P energy: -68.827
bonds (distance) P-C4' energy: -76.128
flat angles C4'-P-C4' energy: -72.485
flat angles P-C4'-P energy: -55.492
tors. eta vs tors. theta energy: -92.919
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1327.576520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.576520 (E_RNA)
where:
Base-Base interactions energy: -772.023
where: short stacking energy: -314.345
Base-Backbone interact. energy: -1.652
local terms energy: -355.901905
where:
bonds (distance) C4'-P energy: -67.071
bonds (distance) P-C4' energy: -76.251
flat angles C4'-P-C4' energy: -73.631
flat angles P-C4'-P energy: -51.101
tors. eta vs tors. theta energy: -87.849
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1279.262874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.262874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.862874 (E_RNA)
where:
Base-Base interactions energy: -735.755
where: short stacking energy: -305.946
Base-Backbone interact. energy: -2.091
local terms energy: -329.016958
where:
bonds (distance) C4'-P energy: -71.852
bonds (distance) P-C4' energy: -65.633
flat angles C4'-P-C4' energy: -67.744
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -76.082
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1235.541637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.541637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.541637 (E_RNA)
where:
Base-Base interactions energy: -707.424
where: short stacking energy: -282.135
Base-Backbone interact. energy: -2.159
local terms energy: -327.957955
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -83.992
flat angles C4'-P-C4' energy: -68.209
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -76.433
Dist. restrs. and SS energy: -198.000 (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: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1169.567178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.567178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.767178 (E_RNA)
where:
Base-Base interactions energy: -669.103
where: short stacking energy: -270.509
Base-Backbone interact. energy: -0.017
local terms energy: -300.646648
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -66.229
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: -71.392
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1141.462059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.462059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.462059 (E_RNA)
where:
Base-Base interactions energy: -670.123
where: short stacking energy: -273.476
Base-Backbone interact. energy: 3.377
local terms energy: -276.716764
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -69.933
flat angles C4'-P-C4' energy: -55.745
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -62.011
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1034.827769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.827769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.627769 (E_RNA)
where:
Base-Base interactions energy: -594.448
where: short stacking energy: -242.482
Base-Backbone interact. energy: 3.924
local terms energy: -257.103139
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -70.615
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -48.185
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -996.429285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.429285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.629285 (E_RNA)
where:
Base-Base interactions energy: -565.402
where: short stacking energy: -228.043
Base-Backbone interact. energy: 2.485
local terms energy: -251.712025
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -50.399
flat angles C4'-P-C4' energy: -48.768
flat angles P-C4'-P energy: -43.500
tors. eta vs tors. theta energy: -59.060
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1472.153508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.153508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.353508 (E_RNA)
where:
Base-Base interactions energy: -889.279
where: short stacking energy: -351.949
Base-Backbone interact. energy: -2.846
local terms energy: -362.228178
where:
bonds (distance) C4'-P energy: -59.084
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -85.333
flat angles P-C4'-P energy: -63.083
tors. eta vs tors. theta energy: -91.902
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1410.113479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.113479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.313479 (E_RNA)
where:
Base-Base interactions energy: -821.497
where: short stacking energy: -320.919
Base-Backbone interact. energy: 0.506
local terms energy: -380.322385
where:
bonds (distance) C4'-P energy: -83.674
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -77.928
flat angles P-C4'-P energy: -52.349
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1376.253554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.253554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.453554 (E_RNA)
where:
Base-Base interactions energy: -808.579
where: short stacking energy: -327.196
Base-Backbone interact. energy: -0.840
local terms energy: -358.034664
where:
bonds (distance) C4'-P energy: -67.090
bonds (distance) P-C4' energy: -73.397
flat angles C4'-P-C4' energy: -75.219
flat angles P-C4'-P energy: -55.968
tors. eta vs tors. theta energy: -86.360
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1348.990132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.990132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.990132 (E_RNA)
where:
Base-Base interactions energy: -798.917
where: short stacking energy: -299.957
Base-Backbone interact. energy: -1.105
local terms energy: -341.968161
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -72.051
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -48.553
tors. eta vs tors. theta energy: -82.058
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1253.294946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.294946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.894946 (E_RNA)
where:
Base-Base interactions energy: -715.302
where: short stacking energy: -291.383
Base-Backbone interact. energy: -1.114
local terms energy: -324.478577
where:
bonds (distance) C4'-P energy: -64.604
bonds (distance) P-C4' energy: -65.631
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -70.415
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1208.473607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.473607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.873607 (E_RNA)
where:
Base-Base interactions energy: -690.404
where: short stacking energy: -262.484
Base-Backbone interact. energy: -0.881
local terms energy: -315.588421
where:
bonds (distance) C4'-P energy: -65.504
bonds (distance) P-C4' energy: -68.081
flat angles C4'-P-C4' energy: -75.475
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -61.561
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1165.601603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.601603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.401603 (E_RNA)
where:
Base-Base interactions energy: -667.412
where: short stacking energy: -275.710
Base-Backbone interact. energy: -2.553
local terms energy: -299.436122
where:
bonds (distance) C4'-P energy: -62.772
bonds (distance) P-C4' energy: -67.980
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1007.317437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.317437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.917437 (E_RNA)
where:
Base-Base interactions energy: -573.746
where: short stacking energy: -225.475
Base-Backbone interact. energy: -0.486
local terms energy: -256.685621
where:
bonds (distance) C4'-P energy: -61.965
bonds (distance) P-C4' energy: -57.533
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -40.415
Dist. restrs. and SS energy: -176.400 (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: 409
Temperature: 1.300000
Total energy: -1108.160458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.160458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.160458 (E_RNA)
where:
Base-Base interactions energy: -643.561
where: short stacking energy: -253.017
Base-Backbone interact. energy: 0.822
local terms energy: -276.421261
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -55.130
flat angles C4'-P-C4' energy: -59.619
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -66.840
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -960.364649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.364649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.164649 (E_RNA)
where:
Base-Base interactions energy: -539.788
where: short stacking energy: -212.342
Base-Backbone interact. energy: 0.605
local terms energy: -242.981678
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -59.372
flat angles C4'-P-C4' energy: -45.885
flat angles P-C4'-P energy: -34.986
tors. eta vs tors. theta energy: -39.339
Dist. restrs. and SS energy: -178.200 (S_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: 410
Temperature: 0.900000
Total energy: -1462.885701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.885701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.885701 (E_RNA)
where:
Base-Base interactions energy: -868.050
where: short stacking energy: -341.867
Base-Backbone interact. energy: -3.730
local terms energy: -375.105890
where:
bonds (distance) C4'-P energy: -72.797
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -83.813
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -94.627
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1397.797587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.797587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.397587 (E_RNA)
where:
Base-Base interactions energy: -829.530
where: short stacking energy: -339.083
Base-Backbone interact. energy: 2.533
local terms energy: -367.400152
where:
bonds (distance) C4'-P energy: -72.057
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -73.597
flat angles P-C4'-P energy: -50.508
tors. eta vs tors. theta energy: -96.871
Dist. restrs. and SS energy: -203.400 (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: 410
Temperature: 1.000000
Total energy: -1378.533878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.533878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.533878 (E_RNA)
where:
Base-Base interactions energy: -816.007
where: short stacking energy: -332.645
Base-Backbone interact. energy: 0.078
local terms energy: -355.604973
where:
bonds (distance) C4'-P energy: -74.242
bonds (distance) P-C4' energy: -74.481
flat angles C4'-P-C4' energy: -73.661
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -89.629
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1352.855660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.855660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.655660 (E_RNA)
where:
Base-Base interactions energy: -792.486
where: short stacking energy: -343.667
Base-Backbone interact. energy: 0.827
local terms energy: -355.996235
where:
bonds (distance) C4'-P energy: -68.636
bonds (distance) P-C4' energy: -68.895
flat angles C4'-P-C4' energy: -77.689
flat angles P-C4'-P energy: -50.919
tors. eta vs tors. theta energy: -89.857
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1245.772172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.772172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.772172 (E_RNA)
where:
Base-Base interactions energy: -722.494
where: short stacking energy: -295.923
Base-Backbone interact. energy: 0.935
local terms energy: -326.213244
where:
bonds (distance) C4'-P energy: -66.972
bonds (distance) P-C4' energy: -71.220
flat angles C4'-P-C4' energy: -69.181
flat angles P-C4'-P energy: -47.616
tors. eta vs tors. theta energy: -71.224
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1243.578419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.578419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.378419 (E_RNA)
where:
Base-Base interactions energy: -724.166
where: short stacking energy: -273.226
Base-Backbone interact. energy: -2.221
local terms energy: -302.991106
where:
bonds (distance) C4'-P energy: -67.354
bonds (distance) P-C4' energy: -57.250
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -52.161
tors. eta vs tors. theta energy: -69.562
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1188.107418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.107418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.707418 (E_RNA)
where:
Base-Base interactions energy: -671.009
where: short stacking energy: -285.844
Base-Backbone interact. energy: -0.300
local terms energy: -322.397832
where:
bonds (distance) C4'-P energy: -57.169
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -69.576
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -85.104
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1049.586285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.586285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.186285 (E_RNA)
where:
Base-Base interactions energy: -589.467
where: short stacking energy: -245.393
Base-Backbone interact. energy: -1.363
local terms energy: -282.356249
where:
bonds (distance) C4'-P energy: -70.915
bonds (distance) P-C4' energy: -62.676
flat angles C4'-P-C4' energy: -58.689
flat angles P-C4'-P energy: -42.031
tors. eta vs tors. theta energy: -48.045
Dist. restrs. and SS energy: -176.400 (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: 410
Temperature: 1.300000
Total energy: -1110.357396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.357396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.557396 (E_RNA)
where:
Base-Base interactions energy: -641.852
where: short stacking energy: -265.000
Base-Backbone interact. energy: -0.949
local terms energy: -276.756422
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -69.416
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -68.478
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1029.497016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.497016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.897016 (E_RNA)
where:
Base-Base interactions energy: -570.793
where: short stacking energy: -232.129
Base-Backbone interact. energy: -0.390
local terms energy: -274.713849
where:
bonds (distance) C4'-P energy: -63.676
bonds (distance) P-C4' energy: -62.173
flat angles C4'-P-C4' energy: -56.605
flat angles P-C4'-P energy: -45.828
tors. eta vs tors. theta energy: -46.431
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1474.376747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.376747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.176747 (E_RNA)
where:
Base-Base interactions energy: -883.156
where: short stacking energy: -341.418
Base-Backbone interact. energy: -1.809
local terms energy: -375.212501
where:
bonds (distance) C4'-P energy: -74.236
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -90.722
flat angles P-C4'-P energy: -46.287
tors. eta vs tors. theta energy: -93.311
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1410.157368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.157368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.957368 (E_RNA)
where:
Base-Base interactions energy: -824.504
where: short stacking energy: -338.596
Base-Backbone interact. energy: -1.236
local terms energy: -379.218085
where:
bonds (distance) C4'-P energy: -67.985
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -80.328
flat angles P-C4'-P energy: -61.089
tors. eta vs tors. theta energy: -91.590
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1384.366726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.366726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.366726 (E_RNA)
where:
Base-Base interactions energy: -805.101
where: short stacking energy: -327.629
Base-Backbone interact. energy: -2.673
local terms energy: -369.592128
where:
bonds (distance) C4'-P energy: -63.080
bonds (distance) P-C4' energy: -74.651
flat angles C4'-P-C4' energy: -79.614
flat angles P-C4'-P energy: -55.796
tors. eta vs tors. theta energy: -96.452
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1293.741727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.541727 (E_RNA)
where:
Base-Base interactions energy: -752.250
where: short stacking energy: -319.299
Base-Backbone interact. energy: -1.420
local terms energy: -343.872529
where:
bonds (distance) C4'-P energy: -70.250
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -80.903
flat angles P-C4'-P energy: -42.982
tors. eta vs tors. theta energy: -84.292
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1292.577136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.577136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.177136 (E_RNA)
where:
Base-Base interactions energy: -770.172
where: short stacking energy: -284.269
Base-Backbone interact. energy: 2.161
local terms energy: -321.166310
where:
bonds (distance) C4'-P energy: -59.525
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -82.230
flat angles P-C4'-P energy: -40.578
tors. eta vs tors. theta energy: -74.475
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1270.847343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.847343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.847343 (E_RNA)
where:
Base-Base interactions energy: -732.382
where: short stacking energy: -287.240
Base-Backbone interact. energy: -0.432
local terms energy: -322.033312
where:
bonds (distance) C4'-P energy: -63.868
bonds (distance) P-C4' energy: -61.708
flat angles C4'-P-C4' energy: -73.275
flat angles P-C4'-P energy: -46.996
tors. eta vs tors. theta energy: -76.186
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1193.076833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.076833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.076833 (E_RNA)
where:
Base-Base interactions energy: -690.744
where: short stacking energy: -286.558
Base-Backbone interact. energy: -2.198
local terms energy: -302.134977
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -64.672
flat angles C4'-P-C4' energy: -71.398
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: -64.887
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1160.266047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.266047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.066047 (E_RNA)
where:
Base-Base interactions energy: -662.990
where: short stacking energy: -260.279
Base-Backbone interact. energy: -1.169
local terms energy: -299.907099
where:
bonds (distance) C4'-P energy: -59.811
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -67.763
flat angles P-C4'-P energy: -52.070
tors. eta vs tors. theta energy: -65.194
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -985.149792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.149792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.349792 (E_RNA)
where:
Base-Base interactions energy: -564.090
where: short stacking energy: -226.218
Base-Backbone interact. energy: 4.552
local terms energy: -252.811614
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -70.901
flat angles C4'-P-C4' energy: -65.364
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: -172.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -984.084254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.084254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.284254 (E_RNA)
where:
Base-Base interactions energy: -539.257
where: short stacking energy: -217.766
Base-Backbone interact. energy: -1.225
local terms energy: -261.802087
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -65.992
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1470.742451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.742451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.742451 (E_RNA)
where:
Base-Base interactions energy: -869.310
where: short stacking energy: -349.030
Base-Backbone interact. energy: -2.272
local terms energy: -383.160057
where:
bonds (distance) C4'-P energy: -76.470
bonds (distance) P-C4' energy: -67.916
flat angles C4'-P-C4' energy: -90.495
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -87.887
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1412.406216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.406216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.406216 (E_RNA)
where:
Base-Base interactions energy: -830.034
where: short stacking energy: -344.284
Base-Backbone interact. energy: 2.091
local terms energy: -377.463295
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -82.089
flat angles P-C4'-P energy: -57.134
tors. eta vs tors. theta energy: -92.394
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1387.508279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.508279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.508279 (E_RNA)
where:
Base-Base interactions energy: -803.658
where: short stacking energy: -332.028
Base-Backbone interact. energy: -2.241
local terms energy: -374.609761
where:
bonds (distance) C4'-P energy: -74.329
bonds (distance) P-C4' energy: -65.483
flat angles C4'-P-C4' energy: -86.799
flat angles P-C4'-P energy: -49.397
tors. eta vs tors. theta energy: -98.602
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1291.704355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.704355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.504355 (E_RNA)
where:
Base-Base interactions energy: -759.914
where: short stacking energy: -311.234
Base-Backbone interact. energy: -2.149
local terms energy: -333.441715
where:
bonds (distance) C4'-P energy: -63.503
bonds (distance) P-C4' energy: -72.090
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -48.672
tors. eta vs tors. theta energy: -81.867
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1279.728677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.328677 (E_RNA)
where:
Base-Base interactions energy: -759.199
where: short stacking energy: -310.595
Base-Backbone interact. energy: -3.016
local terms energy: -314.113852
where:
bonds (distance) C4'-P energy: -67.970
bonds (distance) P-C4' energy: -51.466
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -47.909
tors. eta vs tors. theta energy: -75.751
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1232.981849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.981849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.781849 (E_RNA)
where:
Base-Base interactions energy: -696.738
where: short stacking energy: -268.602
Base-Backbone interact. energy: -0.329
local terms energy: -321.714717
where:
bonds (distance) C4'-P energy: -69.496
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -77.503
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -73.169
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1191.582812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.582812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.182812 (E_RNA)
where:
Base-Base interactions energy: -680.704
where: short stacking energy: -285.884
Base-Backbone interact. energy: 0.694
local terms energy: -308.172535
where:
bonds (distance) C4'-P energy: -69.012
bonds (distance) P-C4' energy: -58.250
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -63.982
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1138.835707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.835707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.035707 (E_RNA)
where:
Base-Base interactions energy: -655.763
where: short stacking energy: -279.969
Base-Backbone interact. energy: 3.449
local terms energy: -286.721248
where:
bonds (distance) C4'-P energy: -65.401
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -56.479
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1048.574686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.574686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.174686 (E_RNA)
where:
Base-Base interactions energy: -580.494
where: short stacking energy: -242.122
Base-Backbone interact. energy: -2.064
local terms energy: -280.616945
where:
bonds (distance) C4'-P energy: -68.628
bonds (distance) P-C4' energy: -58.639
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -51.649
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -991.822828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.822828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.822828 (E_RNA)
where:
Base-Base interactions energy: -566.131
where: short stacking energy: -232.772
Base-Backbone interact. energy: -0.658
local terms energy: -245.033588
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -49.886
flat angles C4'-P-C4' energy: -66.222
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -44.859
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1451.394860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.394860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.794860 (E_RNA)
where:
Base-Base interactions energy: -865.946
where: short stacking energy: -321.477
Base-Backbone interact. energy: -0.556
local terms energy: -365.292886
where:
bonds (distance) C4'-P energy: -72.258
bonds (distance) P-C4' energy: -77.148
flat angles C4'-P-C4' energy: -79.459
flat angles P-C4'-P energy: -55.702
tors. eta vs tors. theta energy: -80.726
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1430.013882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.013882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.013882 (E_RNA)
where:
Base-Base interactions energy: -840.756
where: short stacking energy: -349.784
Base-Backbone interact. energy: -2.196
local terms energy: -380.061320
where:
bonds (distance) C4'-P energy: -67.554
bonds (distance) P-C4' energy: -88.244
flat angles C4'-P-C4' energy: -80.147
flat angles P-C4'-P energy: -50.544
tors. eta vs tors. theta energy: -93.573
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1397.585235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.585235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.185235 (E_RNA)
where:
Base-Base interactions energy: -831.715
where: short stacking energy: -346.855
Base-Backbone interact. energy: 2.291
local terms energy: -355.761406
where:
bonds (distance) C4'-P energy: -67.867
bonds (distance) P-C4' energy: -65.956
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -59.097
tors. eta vs tors. theta energy: -91.407
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1331.979213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.979213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.179213 (E_RNA)
where:
Base-Base interactions energy: -781.938
where: short stacking energy: -322.802
Base-Backbone interact. energy: 0.107
local terms energy: -350.347846
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -69.523
flat angles C4'-P-C4' energy: -74.366
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -88.129
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1301.877876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.877876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.077876 (E_RNA)
where:
Base-Base interactions energy: -754.291
where: short stacking energy: -286.077
Base-Backbone interact. energy: -1.915
local terms energy: -336.871417
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -67.891
flat angles C4'-P-C4' energy: -71.083
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -85.102
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1254.145914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.145914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.745914 (E_RNA)
where:
Base-Base interactions energy: -721.271
where: short stacking energy: -296.236
Base-Backbone interact. energy: -1.467
local terms energy: -319.008368
where:
bonds (distance) C4'-P energy: -64.993
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -75.251
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1171.816045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.816045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.016045 (E_RNA)
where:
Base-Base interactions energy: -686.463
where: short stacking energy: -277.112
Base-Backbone interact. energy: 1.968
local terms energy: -287.521755
where:
bonds (distance) C4'-P energy: -67.867
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -75.005
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1137.616907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.616907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.016907 (E_RNA)
where:
Base-Base interactions energy: -637.902
where: short stacking energy: -261.674
Base-Backbone interact. energy: -1.857
local terms energy: -296.257720
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -66.096
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -58.304
Dist. restrs. and SS energy: -201.600 (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: 413
Temperature: 1.300000
Total energy: -1019.468679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.468679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.468679 (E_RNA)
where:
Base-Base interactions energy: -589.605
where: short stacking energy: -237.670
Base-Backbone interact. energy: 2.444
local terms energy: -252.307122
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -61.787
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -48.782
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -973.923839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.923839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.723839 (E_RNA)
where:
Base-Base interactions energy: -539.925
where: short stacking energy: -219.888
Base-Backbone interact. energy: -0.812
local terms energy: -254.987050
where:
bonds (distance) C4'-P energy: -47.917
bonds (distance) P-C4' energy: -62.598
flat angles C4'-P-C4' energy: -60.820
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -44.557
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1444.282496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.282496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.482496 (E_RNA)
where:
Base-Base interactions energy: -835.998
where: short stacking energy: -346.759
Base-Backbone interact. energy: -2.139
local terms energy: -397.345817
where:
bonds (distance) C4'-P energy: -77.435
bonds (distance) P-C4' energy: -84.930
flat angles C4'-P-C4' energy: -82.475
flat angles P-C4'-P energy: -57.927
tors. eta vs tors. theta energy: -94.578
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1459.377030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.377030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.977030 (E_RNA)
where:
Base-Base interactions energy: -885.066
where: short stacking energy: -335.471
Base-Backbone interact. energy: -0.116
local terms energy: -352.794829
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -70.477
flat angles C4'-P-C4' energy: -76.495
flat angles P-C4'-P energy: -51.037
tors. eta vs tors. theta energy: -94.675
Dist. restrs. and SS energy: -221.400 (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: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1382.682598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.682598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.682598 (E_RNA)
where:
Base-Base interactions energy: -812.988
where: short stacking energy: -339.144
Base-Backbone interact. energy: 0.797
local terms energy: -363.491967
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -66.962
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -103.381
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1311.512294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.512294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.312294 (E_RNA)
where:
Base-Base interactions energy: -769.785
where: short stacking energy: -284.889
Base-Backbone interact. energy: 4.755
local terms energy: -350.282005
where:
bonds (distance) C4'-P energy: -77.122
bonds (distance) P-C4' energy: -74.216
flat angles C4'-P-C4' energy: -77.182
flat angles P-C4'-P energy: -49.246
tors. eta vs tors. theta energy: -72.517
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1290.060021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.060021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.860021 (E_RNA)
where:
Base-Base interactions energy: -741.720
where: short stacking energy: -299.862
Base-Backbone interact. energy: -4.092
local terms energy: -339.048237
where:
bonds (distance) C4'-P energy: -71.263
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -73.506
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1249.782519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.782519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.982519 (E_RNA)
where:
Base-Base interactions energy: -711.982
where: short stacking energy: -296.630
Base-Backbone interact. energy: -0.212
local terms energy: -319.788831
where:
bonds (distance) C4'-P energy: -55.306
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -76.468
flat angles P-C4'-P energy: -46.036
tors. eta vs tors. theta energy: -78.180
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1159.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.558965 (E_RNA)
where:
Base-Base interactions energy: -683.757
where: short stacking energy: -265.081
Base-Backbone interact. energy: -0.781
local terms energy: -275.020515
where:
bonds (distance) C4'-P energy: -55.165
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -44.166
tors. eta vs tors. theta energy: -63.009
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1134.186587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.186587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.586587 (E_RNA)
where:
Base-Base interactions energy: -630.903
where: short stacking energy: -244.257
Base-Backbone interact. energy: -3.194
local terms energy: -298.489070
where:
bonds (distance) C4'-P energy: -65.912
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -65.871
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1046.298398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.298398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.298398 (E_RNA)
where:
Base-Base interactions energy: -577.644
where: short stacking energy: -233.483
Base-Backbone interact. energy: 4.409
local terms energy: -293.063401
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -70.456
flat angles P-C4'-P energy: -48.947
tors. eta vs tors. theta energy: -52.583
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -981.617160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.617160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.617160 (E_RNA)
where:
Base-Base interactions energy: -529.338
where: short stacking energy: -227.973
Base-Backbone interact. energy: -1.157
local terms energy: -271.122138
where:
bonds (distance) C4'-P energy: -53.803
bonds (distance) P-C4' energy: -65.939
flat angles C4'-P-C4' energy: -64.993
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -48.397
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1461.768284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.768284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.968284 (E_RNA)
where:
Base-Base interactions energy: -875.566
where: short stacking energy: -354.208
Base-Backbone interact. energy: -1.595
local terms energy: -375.807028
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -72.706
flat angles C4'-P-C4' energy: -80.896
flat angles P-C4'-P energy: -57.410
tors. eta vs tors. theta energy: -99.723
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1472.439664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.439664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.439664 (E_RNA)
where:
Base-Base interactions energy: -896.815
where: short stacking energy: -329.590
Base-Backbone interact. energy: 2.610
local terms energy: -362.235034
where:
bonds (distance) C4'-P energy: -69.278
bonds (distance) P-C4' energy: -75.990
flat angles C4'-P-C4' energy: -78.917
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: -81.420
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1395.047633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.047633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.447633 (E_RNA)
where:
Base-Base interactions energy: -807.408
where: short stacking energy: -340.619
Base-Backbone interact. energy: -0.860
local terms energy: -376.180026
where:
bonds (distance) C4'-P energy: -71.558
bonds (distance) P-C4' energy: -70.287
flat angles C4'-P-C4' energy: -77.110
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -99.494
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1317.052095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.052095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.252095 (E_RNA)
where:
Base-Base interactions energy: -778.504
where: short stacking energy: -306.425
Base-Backbone interact. energy: -2.847
local terms energy: -335.900863
where:
bonds (distance) C4'-P energy: -68.684
bonds (distance) P-C4' energy: -69.607
flat angles C4'-P-C4' energy: -70.498
flat angles P-C4'-P energy: -43.486
tors. eta vs tors. theta energy: -83.626
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1310.565250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.565250 (E_RNA)
where:
Base-Base interactions energy: -776.759
where: short stacking energy: -300.231
Base-Backbone interact. energy: -0.558
local terms energy: -335.248440
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -67.589
flat angles C4'-P-C4' energy: -74.268
flat angles P-C4'-P energy: -46.348
tors. eta vs tors. theta energy: -85.306
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1233.080605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.080605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.880605 (E_RNA)
where:
Base-Base interactions energy: -706.927
where: short stacking energy: -288.436
Base-Backbone interact. energy: -1.595
local terms energy: -310.358952
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -76.603
flat angles P-C4'-P energy: -45.577
tors. eta vs tors. theta energy: -70.677
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1170.840612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.840612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.640612 (E_RNA)
where:
Base-Base interactions energy: -659.537
where: short stacking energy: -287.413
Base-Backbone interact. energy: -0.248
local terms energy: -314.855380
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -73.332
flat angles P-C4'-P energy: -47.909
tors. eta vs tors. theta energy: -75.248
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1173.129441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.129441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.729441 (E_RNA)
where:
Base-Base interactions energy: -666.188
where: short stacking energy: -241.859
Base-Backbone interact. energy: -3.559
local terms energy: -290.982553
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -48.280
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -58.646
Dist. restrs. and SS energy: -212.400 (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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1000.446866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.446866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.646866 (E_RNA)
where:
Base-Base interactions energy: -575.215
where: short stacking energy: -226.482
Base-Backbone interact. energy: 0.604
local terms energy: -244.035448
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -58.426
flat angles C4'-P-C4' energy: -62.079
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -998.138529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.138529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.338529 (E_RNA)
where:
Base-Base interactions energy: -566.433
where: short stacking energy: -222.828
Base-Backbone interact. energy: -1.082
local terms energy: -248.822892
where:
bonds (distance) C4'-P energy: -42.156
bonds (distance) P-C4' energy: -73.133
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -27.265
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1488.435102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.435102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.435102 (E_RNA)
where:
Base-Base interactions energy: -903.223
where: short stacking energy: -327.295
Base-Backbone interact. energy: -2.344
local terms energy: -366.867926
where:
bonds (distance) C4'-P energy: -73.645
bonds (distance) P-C4' energy: -69.308
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -53.094
tors. eta vs tors. theta energy: -85.999
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1435.977240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.977240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.777240 (E_RNA)
where:
Base-Base interactions energy: -860.522
where: short stacking energy: -348.952
Base-Backbone interact. energy: 1.673
local terms energy: -371.928476
where:
bonds (distance) C4'-P energy: -67.224
bonds (distance) P-C4' energy: -73.662
flat angles C4'-P-C4' energy: -79.068
flat angles P-C4'-P energy: -58.012
tors. eta vs tors. theta energy: -93.962
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1382.855576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.855576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.855576 (E_RNA)
where:
Base-Base interactions energy: -825.429
where: short stacking energy: -338.199
Base-Backbone interact. energy: -0.620
local terms energy: -349.807523
where:
bonds (distance) C4'-P energy: -66.405
bonds (distance) P-C4' energy: -78.057
flat angles C4'-P-C4' energy: -75.205
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -87.954
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1289.143436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.143436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.943436 (E_RNA)
where:
Base-Base interactions energy: -781.784
where: short stacking energy: -302.045
Base-Backbone interact. energy: 4.561
local terms energy: -315.720556
where:
bonds (distance) C4'-P energy: -66.103
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -66.670
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -75.530
Dist. restrs. and SS energy: -196.200 (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: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1281.083516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.083516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.083516 (E_RNA)
where:
Base-Base interactions energy: -762.249
where: short stacking energy: -311.630
Base-Backbone interact. energy: 0.405
local terms energy: -312.240052
where:
bonds (distance) C4'-P energy: -52.425
bonds (distance) P-C4' energy: -69.764
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -80.849
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1240.592782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.592782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.592782 (E_RNA)
where:
Base-Base interactions energy: -715.715
where: short stacking energy: -300.632
Base-Backbone interact. energy: -1.910
local terms energy: -306.967658
where:
bonds (distance) C4'-P energy: -61.087
bonds (distance) P-C4' energy: -56.238
flat angles C4'-P-C4' energy: -71.633
flat angles P-C4'-P energy: -41.420
tors. eta vs tors. theta energy: -76.590
Dist. restrs. and SS energy: -216.000 (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: 416
Temperature: 1.200000
Total energy: -1167.881954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.881954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.881954 (E_RNA)
where:
Base-Base interactions energy: -655.945
where: short stacking energy: -275.076
Base-Backbone interact. energy: 2.962
local terms energy: -316.898238
where:
bonds (distance) C4'-P energy: -57.299
bonds (distance) P-C4' energy: -71.769
flat angles C4'-P-C4' energy: -73.182
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1193.133679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.133679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.733679 (E_RNA)
where:
Base-Base interactions energy: -677.918
where: short stacking energy: -274.236
Base-Backbone interact. energy: 1.027
local terms energy: -312.842800
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -47.091
tors. eta vs tors. theta energy: -75.390
Dist. restrs. and SS energy: -203.400 (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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1006.671922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.671922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.071922 (E_RNA)
where:
Base-Base interactions energy: -560.791
where: short stacking energy: -211.407
Base-Backbone interact. energy: -1.776
local terms energy: -260.504292
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -67.845
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -42.115
tors. eta vs tors. theta energy: -39.176
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -983.406114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.406114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.406114 (E_RNA)
where:
Base-Base interactions energy: -565.104
where: short stacking energy: -233.478
Base-Backbone interact. energy: 1.804
local terms energy: -240.105133
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -39.402
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1500.862484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.862484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.862484 (E_RNA)
where:
Base-Base interactions energy: -911.319
where: short stacking energy: -333.117
Base-Backbone interact. energy: -1.300
local terms energy: -372.242864
where:
bonds (distance) C4'-P energy: -69.375
bonds (distance) P-C4' energy: -76.225
flat angles C4'-P-C4' energy: -85.396
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -89.667
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1430.603941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.603941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.403941 (E_RNA)
where:
Base-Base interactions energy: -838.586
where: short stacking energy: -343.613
Base-Backbone interact. energy: -1.201
local terms energy: -385.617748
where:
bonds (distance) C4'-P energy: -74.623
bonds (distance) P-C4' energy: -76.769
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -63.425
tors. eta vs tors. theta energy: -94.748
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1356.182443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.182443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.382443 (E_RNA)
where:
Base-Base interactions energy: -796.712
where: short stacking energy: -317.813
Base-Backbone interact. energy: -2.022
local terms energy: -348.648769
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -65.348
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -78.494
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1265.603740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.603740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.603740 (E_RNA)
where:
Base-Base interactions energy: -754.963
where: short stacking energy: -305.764
Base-Backbone interact. energy: 0.284
local terms energy: -312.924460
where:
bonds (distance) C4'-P energy: -66.718
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -31.665
tors. eta vs tors. theta energy: -78.393
Dist. restrs. and SS energy: -198.000 (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: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1308.093553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.093553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.293553 (E_RNA)
where:
Base-Base interactions energy: -769.810
where: short stacking energy: -311.609
Base-Backbone interact. energy: -1.606
local terms energy: -327.878338
where:
bonds (distance) C4'-P energy: -67.283
bonds (distance) P-C4' energy: -70.203
flat angles C4'-P-C4' energy: -78.853
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -70.001
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1238.434748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.434748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.034748 (E_RNA)
where:
Base-Base interactions energy: -723.234
where: short stacking energy: -292.904
Base-Backbone interact. energy: -1.806
local terms energy: -318.995590
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -70.550
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -77.744
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1218.237092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.237092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.837092 (E_RNA)
where:
Base-Base interactions energy: -696.958
where: short stacking energy: -288.196
Base-Backbone interact. energy: 3.693
local terms energy: -312.571949
where:
bonds (distance) C4'-P energy: -61.649
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -70.814
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -76.508
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1157.406303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.406303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.806303 (E_RNA)
where:
Base-Base interactions energy: -665.687
where: short stacking energy: -256.007
Base-Backbone interact. energy: -1.850
local terms energy: -279.269431
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -69.813
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -63.540
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1018.006987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.006987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.406987 (E_RNA)
where:
Base-Base interactions energy: -542.382
where: short stacking energy: -228.216
Base-Backbone interact. energy: -0.062
local terms energy: -291.963277
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -69.345
flat angles C4'-P-C4' energy: -73.535
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -56.132
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1009.514542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.514542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.914542 (E_RNA)
where:
Base-Base interactions energy: -570.965
where: short stacking energy: -211.714
Base-Backbone interact. energy: 4.373
local terms energy: -259.323102
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -62.079
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -41.436
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1470.775545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.775545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.975545 (E_RNA)
where:
Base-Base interactions energy: -881.691
where: short stacking energy: -337.746
Base-Backbone interact. energy: -1.546
local terms energy: -369.738381
where:
bonds (distance) C4'-P energy: -74.384
bonds (distance) P-C4' energy: -70.716
flat angles C4'-P-C4' energy: -82.334
flat angles P-C4'-P energy: -49.960
tors. eta vs tors. theta energy: -92.344
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1420.692051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.692051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.292051 (E_RNA)
where:
Base-Base interactions energy: -835.675
where: short stacking energy: -348.932
Base-Backbone interact. energy: -0.380
local terms energy: -381.237558
where:
bonds (distance) C4'-P energy: -66.418
bonds (distance) P-C4' energy: -76.061
flat angles C4'-P-C4' energy: -78.534
flat angles P-C4'-P energy: -59.224
tors. eta vs tors. theta energy: -101.000
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1372.336695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.336695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.336695 (E_RNA)
where:
Base-Base interactions energy: -827.582
where: short stacking energy: -334.666
Base-Backbone interact. energy: -0.770
local terms energy: -336.984796
where:
bonds (distance) C4'-P energy: -57.910
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: -88.940
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1300.040609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.640609 (E_RNA)
where:
Base-Base interactions energy: -761.948
where: short stacking energy: -322.467
Base-Backbone interact. energy: 2.181
local terms energy: -336.873471
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -59.678
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -85.592
Dist. restrs. and SS energy: -203.400 (S_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: 418
Temperature: 1.100000
Total energy: -1295.385470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.385470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.585470 (E_RNA)
where:
Base-Base interactions energy: -772.295
where: short stacking energy: -279.245
Base-Backbone interact. energy: 2.186
local terms energy: -316.477135
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -73.323
flat angles P-C4'-P energy: -53.293
tors. eta vs tors. theta energy: -74.567
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1242.159923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.159923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.959923 (E_RNA)
where:
Base-Base interactions energy: -726.482
where: short stacking energy: -306.540
Base-Backbone interact. energy: -3.693
local terms energy: -315.784941
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -70.297
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -77.718
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1241.924702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.924702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.724702 (E_RNA)
where:
Base-Base interactions energy: -709.478
where: short stacking energy: -284.770
Base-Backbone interact. energy: 2.880
local terms energy: -321.126676
where:
bonds (distance) C4'-P energy: -65.912
bonds (distance) P-C4' energy: -68.742
flat angles C4'-P-C4' energy: -69.496
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: -75.398
Dist. restrs. and SS energy: -214.200 (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: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1136.568848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.568848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.768848 (E_RNA)
where:
Base-Base interactions energy: -660.336
where: short stacking energy: -275.509
Base-Backbone interact. energy: -0.600
local terms energy: -266.832620
where:
bonds (distance) C4'-P energy: -61.243
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -68.186
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1001.718832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.718832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.518832 (E_RNA)
where:
Base-Base interactions energy: -565.347
where: short stacking energy: -217.914
Base-Backbone interact. energy: 0.981
local terms energy: -250.152950
where:
bonds (distance) C4'-P energy: -63.629
bonds (distance) P-C4' energy: -51.401
flat angles C4'-P-C4' energy: -65.619
flat angles P-C4'-P energy: -36.120
tors. eta vs tors. theta energy: -33.383
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -989.398319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.398319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.798319 (E_RNA)
where:
Base-Base interactions energy: -552.217
where: short stacking energy: -224.026
Base-Backbone interact. energy: 4.155
local terms energy: -257.736285
where:
bonds (distance) C4'-P energy: -54.579
bonds (distance) P-C4' energy: -56.882
flat angles C4'-P-C4' energy: -67.031
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -45.774
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1481.388436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.388436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.388436 (E_RNA)
where:
Base-Base interactions energy: -885.386
where: short stacking energy: -341.736
Base-Backbone interact. energy: -1.810
local terms energy: -378.191913
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -73.922
flat angles C4'-P-C4' energy: -85.506
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -88.358
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1424.693461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.693461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.493461 (E_RNA)
where:
Base-Base interactions energy: -832.179
where: short stacking energy: -346.129
Base-Backbone interact. energy: -2.762
local terms energy: -384.552067
where:
bonds (distance) C4'-P energy: -75.064
bonds (distance) P-C4' energy: -71.814
flat angles C4'-P-C4' energy: -82.681
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -98.996
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1360.275946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.275946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.475946 (E_RNA)
where:
Base-Base interactions energy: -794.796
where: short stacking energy: -324.898
Base-Backbone interact. energy: -1.233
local terms energy: -355.447109
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -69.061
flat angles C4'-P-C4' energy: -80.029
flat angles P-C4'-P energy: -59.308
tors. eta vs tors. theta energy: -86.872
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1356.085683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.085683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.885683 (E_RNA)
where:
Base-Base interactions energy: -812.702
where: short stacking energy: -323.415
Base-Backbone interact. energy: -3.236
local terms energy: -334.947351
where:
bonds (distance) C4'-P energy: -67.394
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -73.324
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -82.523
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1289.693706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.693706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.293706 (E_RNA)
where:
Base-Base interactions energy: -761.153
where: short stacking energy: -309.588
Base-Backbone interact. energy: 2.193
local terms energy: -327.333445
where:
bonds (distance) C4'-P energy: -66.706
bonds (distance) P-C4' energy: -57.727
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -82.110
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1246.926594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.926594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.726594 (E_RNA)
where:
Base-Base interactions energy: -728.798
where: short stacking energy: -292.786
Base-Backbone interact. energy: 2.109
local terms energy: -306.037234
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -71.727
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -74.161
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1220.933190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.933190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.733190 (E_RNA)
where:
Base-Base interactions energy: -698.603
where: short stacking energy: -302.176
Base-Backbone interact. energy: 0.250
local terms energy: -326.380280
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -75.199
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -79.036
Dist. restrs. and SS energy: -196.200 (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: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1143.661830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.661830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.861830 (E_RNA)
where:
Base-Base interactions energy: -639.774
where: short stacking energy: -262.310
Base-Backbone interact. energy: -1.764
local terms energy: -293.323382
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -63.172
flat angles C4'-P-C4' energy: -65.383
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -62.425
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1003.065460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.065460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.265460 (E_RNA)
where:
Base-Base interactions energy: -563.433
where: short stacking energy: -224.352
Base-Backbone interact. energy: -4.341
local terms energy: -253.491950
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -63.543
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -42.669
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1017.712782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.712782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.712782 (E_RNA)
where:
Base-Base interactions energy: -590.026
where: short stacking energy: -254.560
Base-Backbone interact. energy: -0.243
local terms energy: -247.444013
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -40.833
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -60.179
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1477.071796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.071796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.071796 (E_RNA)
where:
Base-Base interactions energy: -892.222
where: short stacking energy: -334.779
Base-Backbone interact. energy: -2.650
local terms energy: -366.199306
where:
bonds (distance) C4'-P energy: -70.954
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -80.882
flat angles P-C4'-P energy: -59.754
tors. eta vs tors. theta energy: -90.627
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1435.481013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.481013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.481013 (E_RNA)
where:
Base-Base interactions energy: -847.659
where: short stacking energy: -351.542
Base-Backbone interact. energy: -2.077
local terms energy: -378.744755
where:
bonds (distance) C4'-P energy: -74.989
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -57.434
tors. eta vs tors. theta energy: -102.346
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1400.301138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.301138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.501138 (E_RNA)
where:
Base-Base interactions energy: -830.810
where: short stacking energy: -320.471
Base-Backbone interact. energy: -1.736
local terms energy: -358.955263
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -71.479
flat angles C4'-P-C4' energy: -83.010
flat angles P-C4'-P energy: -46.095
tors. eta vs tors. theta energy: -94.266
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1348.334345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.334345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.334345 (E_RNA)
where:
Base-Base interactions energy: -807.095
where: short stacking energy: -320.605
Base-Backbone interact. energy: -2.119
local terms energy: -332.119952
where:
bonds (distance) C4'-P energy: -58.619
bonds (distance) P-C4' energy: -66.129
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -50.834
tors. eta vs tors. theta energy: -84.370
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1266.594816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.594816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.794816 (E_RNA)
where:
Base-Base interactions energy: -733.707
where: short stacking energy: -302.870
Base-Backbone interact. energy: -2.639
local terms energy: -330.449130
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -62.290
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -79.681
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1225.734730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.734730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.934730 (E_RNA)
where:
Base-Base interactions energy: -707.809
where: short stacking energy: -274.873
Base-Backbone interact. energy: -0.099
local terms energy: -300.027055
where:
bonds (distance) C4'-P energy: -59.862
bonds (distance) P-C4' energy: -69.504
flat angles C4'-P-C4' energy: -66.126
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -62.956
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1187.396088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.396088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.196088 (E_RNA)
where:
Base-Base interactions energy: -668.279
where: short stacking energy: -242.380
Base-Backbone interact. energy: -2.222
local terms energy: -302.695394
where:
bonds (distance) C4'-P energy: -64.018
bonds (distance) P-C4' energy: -59.884
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -50.242
tors. eta vs tors. theta energy: -66.310
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1133.121390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.121390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.721390 (E_RNA)
where:
Base-Base interactions energy: -654.630
where: short stacking energy: -275.750
Base-Backbone interact. energy: -1.739
local terms energy: -282.352590
where:
bonds (distance) C4'-P energy: -62.010
bonds (distance) P-C4' energy: -56.147
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -61.837
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1040.207399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.207399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.607399 (E_RNA)
where:
Base-Base interactions energy: -593.403
where: short stacking energy: -251.410
Base-Backbone interact. energy: -2.181
local terms energy: -261.023914
where:
bonds (distance) C4'-P energy: -63.866
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -47.796
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1011.344969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.344969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.744969 (E_RNA)
where:
Base-Base interactions energy: -582.095
where: short stacking energy: -222.489
Base-Backbone interact. energy: -0.352
local terms energy: -245.297947
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -56.291
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -54.321
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1488.322145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.322145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.322145 (E_RNA)
where:
Base-Base interactions energy: -899.805
where: short stacking energy: -340.653
Base-Backbone interact. energy: 0.424
local terms energy: -372.940945
where:
bonds (distance) C4'-P energy: -65.499
bonds (distance) P-C4' energy: -78.730
flat angles C4'-P-C4' energy: -84.104
flat angles P-C4'-P energy: -56.430
tors. eta vs tors. theta energy: -88.178
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1411.589039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.589039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.589039 (E_RNA)
where:
Base-Base interactions energy: -816.661
where: short stacking energy: -346.945
Base-Backbone interact. energy: -1.402
local terms energy: -386.525724
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -81.096
flat angles C4'-P-C4' energy: -81.384
flat angles P-C4'-P energy: -53.443
tors. eta vs tors. theta energy: -100.881
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1382.011555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.011555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.211555 (E_RNA)
where:
Base-Base interactions energy: -816.583
where: short stacking energy: -324.539
Base-Backbone interact. energy: -3.480
local terms energy: -353.149253
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -70.622
flat angles C4'-P-C4' energy: -75.600
flat angles P-C4'-P energy: -54.889
tors. eta vs tors. theta energy: -90.910
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1329.530584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.530584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.130584 (E_RNA)
where:
Base-Base interactions energy: -785.656
where: short stacking energy: -302.209
Base-Backbone interact. energy: 1.125
local terms energy: -341.599888
where:
bonds (distance) C4'-P energy: -61.149
bonds (distance) P-C4' energy: -73.155
flat angles C4'-P-C4' energy: -77.426
flat angles P-C4'-P energy: -55.793
tors. eta vs tors. theta energy: -74.077
Dist. restrs. and SS energy: -203.400 (S_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: 421
Temperature: 1.100000
Total energy: -1251.111228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.111228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.511228 (E_RNA)
where:
Base-Base interactions energy: -729.743
where: short stacking energy: -283.194
Base-Backbone interact. energy: -1.831
local terms energy: -317.937298
where:
bonds (distance) C4'-P energy: -59.275
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -69.344
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -76.041
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1234.564048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.564048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.964048 (E_RNA)
where:
Base-Base interactions energy: -698.081
where: short stacking energy: -287.526
Base-Backbone interact. energy: -3.797
local terms energy: -322.085293
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -70.990
flat angles C4'-P-C4' energy: -69.451
flat angles P-C4'-P energy: -48.291
tors. eta vs tors. theta energy: -77.273
Dist. restrs. and SS energy: -210.600 (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: 421
Temperature: 1.200000
Total energy: -1207.739782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.939782 (E_RNA)
where:
Base-Base interactions energy: -699.304
where: short stacking energy: -266.699
Base-Backbone interact. energy: 2.164
local terms energy: -301.799658
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -78.140
flat angles C4'-P-C4' energy: -66.023
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -68.480
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1148.534477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.534477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.534477 (E_RNA)
where:
Base-Base interactions energy: -665.835
where: short stacking energy: -283.309
Base-Backbone interact. energy: -2.363
local terms energy: -282.336396
where:
bonds (distance) C4'-P energy: -55.397
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -64.398
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1008.695922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.495922 (E_RNA)
where:
Base-Base interactions energy: -550.653
where: short stacking energy: -203.538
Base-Backbone interact. energy: -3.441
local terms energy: -267.401747
where:
bonds (distance) C4'-P energy: -54.230
bonds (distance) P-C4' energy: -64.476
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -43.350
tors. eta vs tors. theta energy: -43.926
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1007.117007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.117007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.917007 (E_RNA)
where:
Base-Base interactions energy: -582.585
where: short stacking energy: -238.273
Base-Backbone interact. energy: -0.438
local terms energy: -245.893540
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -52.664
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1445.204588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.204588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.004588 (E_RNA)
where:
Base-Base interactions energy: -844.498
where: short stacking energy: -359.738
Base-Backbone interact. energy: -3.236
local terms energy: -392.270233
where:
bonds (distance) C4'-P energy: -77.969
bonds (distance) P-C4' energy: -72.719
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -103.359
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1436.961593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.961593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.961593 (E_RNA)
where:
Base-Base interactions energy: -871.986
where: short stacking energy: -331.081
Base-Backbone interact. energy: -3.483
local terms energy: -345.492324
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -50.876
tors. eta vs tors. theta energy: -80.876
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1374.354196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.354196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.154196 (E_RNA)
where:
Base-Base interactions energy: -800.390
where: short stacking energy: -321.879
Base-Backbone interact. energy: -3.262
local terms energy: -365.502223
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -82.351
flat angles C4'-P-C4' energy: -79.813
flat angles P-C4'-P energy: -51.928
tors. eta vs tors. theta energy: -85.497
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1333.585372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.585372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.185372 (E_RNA)
where:
Base-Base interactions energy: -785.463
where: short stacking energy: -307.830
Base-Backbone interact. energy: -3.450
local terms energy: -341.272962
where:
bonds (distance) C4'-P energy: -59.639
bonds (distance) P-C4' energy: -68.028
flat angles C4'-P-C4' energy: -75.210
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -87.108
Dist. restrs. and SS energy: -203.400 (S_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: 422
Temperature: 1.100000
Total energy: -1286.018050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.018050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.018050 (E_RNA)
where:
Base-Base interactions energy: -776.793
where: short stacking energy: -309.044
Base-Backbone interact. energy: 0.839
local terms energy: -312.064615
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -64.367
flat angles C4'-P-C4' energy: -69.292
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1205.710451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.710451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.110451 (E_RNA)
where:
Base-Base interactions energy: -709.788
where: short stacking energy: -291.676
Base-Backbone interact. energy: -2.842
local terms energy: -282.480908
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -56.451
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: -70.670
Dist. restrs. and SS energy: -210.600 (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: 422
Temperature: 1.200000
Total energy: -1183.852126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.852126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.452126 (E_RNA)
where:
Base-Base interactions energy: -671.562
where: short stacking energy: -260.678
Base-Backbone interact. energy: 0.618
local terms energy: -300.507987
where:
bonds (distance) C4'-P energy: -67.246
bonds (distance) P-C4' energy: -63.212
flat angles C4'-P-C4' energy: -63.831
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -61.790
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1133.315215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.315215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.715215 (E_RNA)
where:
Base-Base interactions energy: -636.520
where: short stacking energy: -260.929
Base-Backbone interact. energy: 3.230
local terms energy: -298.424800
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -74.162
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -41.781
tors. eta vs tors. theta energy: -57.124
Dist. restrs. and SS energy: -201.600 (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: 422
Temperature: 1.300000
Total energy: -1050.288360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.288360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.888360 (E_RNA)
where:
Base-Base interactions energy: -587.626
where: short stacking energy: -235.118
Base-Backbone interact. energy: 1.301
local terms energy: -278.564141
where:
bonds (distance) C4'-P energy: -56.527
bonds (distance) P-C4' energy: -58.602
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -54.980
tors. eta vs tors. theta energy: -49.679
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -988.612337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.612337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.212337 (E_RNA)
where:
Base-Base interactions energy: -565.258
where: short stacking energy: -232.869
Base-Backbone interact. energy: 1.814
local terms energy: -239.768890
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -56.282
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1436.102484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.102484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.102484 (E_RNA)
where:
Base-Base interactions energy: -836.254
where: short stacking energy: -369.755
Base-Backbone interact. energy: -1.714
local terms energy: -391.134420
where:
bonds (distance) C4'-P energy: -74.108
bonds (distance) P-C4' energy: -72.600
flat angles C4'-P-C4' energy: -79.101
flat angles P-C4'-P energy: -56.061
tors. eta vs tors. theta energy: -109.263
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1454.870174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.870174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.870174 (E_RNA)
where:
Base-Base interactions energy: -881.268
where: short stacking energy: -348.887
Base-Backbone interact. energy: -3.357
local terms energy: -354.245549
where:
bonds (distance) C4'-P energy: -64.574
bonds (distance) P-C4' energy: -69.636
flat angles C4'-P-C4' energy: -82.393
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -89.026
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1395.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.231042 (E_RNA)
where:
Base-Base interactions energy: -826.127
where: short stacking energy: -338.801
Base-Backbone interact. energy: 1.669
local terms energy: -365.772407
where:
bonds (distance) C4'-P energy: -64.074
bonds (distance) P-C4' energy: -72.340
flat angles C4'-P-C4' energy: -80.873
flat angles P-C4'-P energy: -53.699
tors. eta vs tors. theta energy: -94.787
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1302.045140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.045140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.445140 (E_RNA)
where:
Base-Base interactions energy: -780.654
where: short stacking energy: -324.020
Base-Backbone interact. energy: 0.498
local terms energy: -320.289010
where:
bonds (distance) C4'-P energy: -63.131
bonds (distance) P-C4' energy: -62.718
flat angles C4'-P-C4' energy: -68.256
flat angles P-C4'-P energy: -48.345
tors. eta vs tors. theta energy: -77.839
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1329.155944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.155944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.955944 (E_RNA)
where:
Base-Base interactions energy: -806.974
where: short stacking energy: -328.344
Base-Backbone interact. energy: 0.425
local terms energy: -317.407238
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -73.287
flat angles C4'-P-C4' energy: -72.402
flat angles P-C4'-P energy: -43.102
tors. eta vs tors. theta energy: -74.531
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1235.661971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.661971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.661971 (E_RNA)
where:
Base-Base interactions energy: -708.621
where: short stacking energy: -281.805
Base-Backbone interact. energy: -0.671
local terms energy: -319.369447
where:
bonds (distance) C4'-P energy: -68.589
bonds (distance) P-C4' energy: -61.769
flat angles C4'-P-C4' energy: -74.052
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -73.834
Dist. restrs. and SS energy: -207.000 (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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1197.606421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.606421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.006421 (E_RNA)
where:
Base-Base interactions energy: -692.767
where: short stacking energy: -266.018
Base-Backbone interact. energy: -1.187
local terms energy: -293.052752
where:
bonds (distance) C4'-P energy: -53.821
bonds (distance) P-C4' energy: -68.410
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -70.621
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1172.572734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.572734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.372734 (E_RNA)
where:
Base-Base interactions energy: -688.682
where: short stacking energy: -283.379
Base-Backbone interact. energy: -1.466
local terms energy: -286.225070
where:
bonds (distance) C4'-P energy: -55.265
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -69.445
flat angles P-C4'-P energy: -33.411
tors. eta vs tors. theta energy: -76.902
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1055.864560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.864560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.464560 (E_RNA)
where:
Base-Base interactions energy: -577.954
where: short stacking energy: -227.423
Base-Backbone interact. energy: -2.145
local terms energy: -290.366347
where:
bonds (distance) C4'-P energy: -69.583
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -69.398
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -55.696
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -996.000822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.000822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.600822 (E_RNA)
where:
Base-Base interactions energy: -551.317
where: short stacking energy: -213.911
Base-Backbone interact. energy: -2.026
local terms energy: -257.257195
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -61.897
flat angles P-C4'-P energy: -42.131
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1442.738325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.738325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.738325 (E_RNA)
where:
Base-Base interactions energy: -847.275
where: short stacking energy: -353.991
Base-Backbone interact. energy: 0.193
local terms energy: -388.656086
where:
bonds (distance) C4'-P energy: -76.361
bonds (distance) P-C4' energy: -72.739
flat angles C4'-P-C4' energy: -81.609
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: -102.696
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1454.898901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.898901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.698901 (E_RNA)
where:
Base-Base interactions energy: -881.972
where: short stacking energy: -335.900
Base-Backbone interact. energy: -1.605
local terms energy: -357.121953
where:
bonds (distance) C4'-P energy: -58.352
bonds (distance) P-C4' energy: -79.321
flat angles C4'-P-C4' energy: -75.250
flat angles P-C4'-P energy: -53.227
tors. eta vs tors. theta energy: -90.973
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1365.576812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.576812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.976812 (E_RNA)
where:
Base-Base interactions energy: -808.147
where: short stacking energy: -324.897
Base-Backbone interact. energy: 0.336
local terms energy: -356.165740
where:
bonds (distance) C4'-P energy: -66.469
bonds (distance) P-C4' energy: -72.627
flat angles C4'-P-C4' energy: -84.913
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: -87.963
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1302.260810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.260810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.460810 (E_RNA)
where:
Base-Base interactions energy: -782.839
where: short stacking energy: -320.533
Base-Backbone interact. energy: -0.283
local terms energy: -319.338689
where:
bonds (distance) C4'-P energy: -65.337
bonds (distance) P-C4' energy: -67.800
flat angles C4'-P-C4' energy: -62.741
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -78.319
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1313.880073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.880073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.480073 (E_RNA)
where:
Base-Base interactions energy: -779.579
where: short stacking energy: -320.784
Base-Backbone interact. energy: -2.137
local terms energy: -328.764657
where:
bonds (distance) C4'-P energy: -63.518
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -66.490
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -82.233
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1243.588900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.588900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.388900 (E_RNA)
where:
Base-Base interactions energy: -719.964
where: short stacking energy: -280.443
Base-Backbone interact. energy: -1.137
local terms energy: -308.287764
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -63.818
flat angles C4'-P-C4' energy: -73.411
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -68.672
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1240.021859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.021859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.821859 (E_RNA)
where:
Base-Base interactions energy: -717.869
where: short stacking energy: -285.538
Base-Backbone interact. energy: -0.294
local terms energy: -307.658259
where:
bonds (distance) C4'-P energy: -67.484
bonds (distance) P-C4' energy: -56.930
flat angles C4'-P-C4' energy: -70.106
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -70.870
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1133.073991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.073991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.073991 (E_RNA)
where:
Base-Base interactions energy: -650.674
where: short stacking energy: -264.803
Base-Backbone interact. energy: -3.221
local terms energy: -281.179407
where:
bonds (distance) C4'-P energy: -67.748
bonds (distance) P-C4' energy: -56.663
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -55.978
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1066.500697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.500697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.100697 (E_RNA)
where:
Base-Base interactions energy: -610.350
where: short stacking energy: -237.321
Base-Backbone interact. energy: 0.176
local terms energy: -270.926533
where:
bonds (distance) C4'-P energy: -67.594
bonds (distance) P-C4' energy: -64.137
flat angles C4'-P-C4' energy: -53.527
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -52.678
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1036.942922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.942922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.342922 (E_RNA)
where:
Base-Base interactions energy: -585.979
where: short stacking energy: -226.100
Base-Backbone interact. energy: 0.762
local terms energy: -268.126047
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -50.733
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1449.543211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.543211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.743211 (E_RNA)
where:
Base-Base interactions energy: -851.566
where: short stacking energy: -352.177
Base-Backbone interact. energy: 0.484
local terms energy: -389.661620
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -62.890
flat angles C4'-P-C4' energy: -87.327
flat angles P-C4'-P energy: -59.282
tors. eta vs tors. theta energy: -105.108
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1441.534369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.534369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.334369 (E_RNA)
where:
Base-Base interactions energy: -864.630
where: short stacking energy: -336.077
Base-Backbone interact. energy: -1.640
local terms energy: -361.064475
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -79.879
flat angles C4'-P-C4' energy: -77.999
flat angles P-C4'-P energy: -51.545
tors. eta vs tors. theta energy: -85.714
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1388.512638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.512638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.712638 (E_RNA)
where:
Base-Base interactions energy: -823.349
where: short stacking energy: -321.580
Base-Backbone interact. energy: -0.665
local terms energy: -355.698806
where:
bonds (distance) C4'-P energy: -72.464
bonds (distance) P-C4' energy: -69.759
flat angles C4'-P-C4' energy: -76.395
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -88.361
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1324.411698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.411698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.411698 (E_RNA)
where:
Base-Base interactions energy: -776.736
where: short stacking energy: -323.235
Base-Backbone interact. energy: -3.155
local terms energy: -337.521373
where:
bonds (distance) C4'-P energy: -69.724
bonds (distance) P-C4' energy: -71.074
flat angles C4'-P-C4' energy: -68.595
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -81.119
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1239.472223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.472223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.672223 (E_RNA)
where:
Base-Base interactions energy: -724.082
where: short stacking energy: -300.830
Base-Backbone interact. energy: -2.169
local terms energy: -313.421102
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -74.060
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -35.428
tors. eta vs tors. theta energy: -81.790
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1236.808386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.008386 (E_RNA)
where:
Base-Base interactions energy: -717.120
where: short stacking energy: -275.501
Base-Backbone interact. energy: 0.056
local terms energy: -301.944525
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -62.034
flat angles C4'-P-C4' energy: -77.856
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -66.475
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1220.952629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.952629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.352629 (E_RNA)
where:
Base-Base interactions energy: -732.658
where: short stacking energy: -282.975
Base-Backbone interact. energy: 0.000
local terms energy: -286.694618
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -60.244
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -42.667
tors. eta vs tors. theta energy: -66.947
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1134.699971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.699971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.499971 (E_RNA)
where:
Base-Base interactions energy: -652.337
where: short stacking energy: -265.984
Base-Backbone interact. energy: -0.988
local terms energy: -285.175830
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -75.696
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -65.261
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1066.326136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.326136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.926136 (E_RNA)
where:
Base-Base interactions energy: -593.796
where: short stacking energy: -237.594
Base-Backbone interact. energy: 0.473
local terms energy: -296.602422
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -65.544
flat angles C4'-P-C4' energy: -74.229
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -53.203
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1003.932247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.932247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.932247 (E_RNA)
where:
Base-Base interactions energy: -558.767
where: short stacking energy: -224.777
Base-Backbone interact. energy: -3.453
local terms energy: -252.712137
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -61.498
flat angles C4'-P-C4' energy: -52.229
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -41.766
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1477.305730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.305730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.505730 (E_RNA)
where:
Base-Base interactions energy: -909.783
where: short stacking energy: -345.769
Base-Backbone interact. energy: -2.392
local terms energy: -347.330333
where:
bonds (distance) C4'-P energy: -65.549
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -74.597
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -87.558
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1431.518707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.518707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.518707 (E_RNA)
where:
Base-Base interactions energy: -836.169
where: short stacking energy: -359.400
Base-Backbone interact. energy: -1.309
local terms energy: -387.039810
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -84.039
flat angles P-C4'-P energy: -58.571
tors. eta vs tors. theta energy: -101.715
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1383.361588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.361588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.961588 (E_RNA)
where:
Base-Base interactions energy: -801.438
where: short stacking energy: -331.078
Base-Backbone interact. energy: -1.171
local terms energy: -377.351897
where:
bonds (distance) C4'-P energy: -75.956
bonds (distance) P-C4' energy: -74.689
flat angles C4'-P-C4' energy: -84.106
flat angles P-C4'-P energy: -51.160
tors. eta vs tors. theta energy: -91.441
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1330.418813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.418813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.418813 (E_RNA)
where:
Base-Base interactions energy: -779.099
where: short stacking energy: -307.798
Base-Backbone interact. energy: -1.662
local terms energy: -342.657539
where:
bonds (distance) C4'-P energy: -64.247
bonds (distance) P-C4' energy: -73.698
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -49.953
tors. eta vs tors. theta energy: -77.040
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1251.625999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.625999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.625999 (E_RNA)
where:
Base-Base interactions energy: -723.268
where: short stacking energy: -294.531
Base-Backbone interact. energy: -2.861
local terms energy: -327.497336
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -84.027
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -74.714
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1240.340884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.340884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.740884 (E_RNA)
where:
Base-Base interactions energy: -696.201
where: short stacking energy: -279.423
Base-Backbone interact. energy: -3.886
local terms energy: -329.654133
where:
bonds (distance) C4'-P energy: -62.935
bonds (distance) P-C4' energy: -71.409
flat angles C4'-P-C4' energy: -73.404
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -76.405
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1242.350025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.350025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.150025 (E_RNA)
where:
Base-Base interactions energy: -707.734
where: short stacking energy: -273.374
Base-Backbone interact. energy: -0.837
local terms energy: -319.578630
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -77.141
flat angles C4'-P-C4' energy: -76.438
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -68.900
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1154.948562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.948562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.548562 (E_RNA)
where:
Base-Base interactions energy: -663.281
where: short stacking energy: -255.193
Base-Backbone interact. energy: -4.554
local terms energy: -292.713783
where:
bonds (distance) C4'-P energy: -62.390
bonds (distance) P-C4' energy: -67.753
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -55.496
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1039.600856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.600856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.000856 (E_RNA)
where:
Base-Base interactions energy: -608.598
where: short stacking energy: -257.203
Base-Backbone interact. energy: 1.589
local terms energy: -239.991127
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -50.765
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -984.036096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.036096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.036096 (E_RNA)
where:
Base-Base interactions energy: -537.538
where: short stacking energy: -216.609
Base-Backbone interact. energy: -2.034
local terms energy: -264.464068
where:
bonds (distance) C4'-P energy: -63.611
bonds (distance) P-C4' energy: -61.465
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -41.947
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1492.358267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.358267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.158267 (E_RNA)
where:
Base-Base interactions energy: -894.887
where: short stacking energy: -333.516
Base-Backbone interact. energy: -3.132
local terms energy: -380.139123
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -80.907
flat angles C4'-P-C4' energy: -85.195
flat angles P-C4'-P energy: -54.405
tors. eta vs tors. theta energy: -85.488
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1399.117360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.117360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.917360 (E_RNA)
where:
Base-Base interactions energy: -828.127
where: short stacking energy: -332.105
Base-Backbone interact. energy: -0.723
local terms energy: -365.067534
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -73.631
flat angles C4'-P-C4' energy: -71.837
flat angles P-C4'-P energy: -64.671
tors. eta vs tors. theta energy: -82.962
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1417.284279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.284279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.084279 (E_RNA)
where:
Base-Base interactions energy: -835.689
where: short stacking energy: -342.194
Base-Backbone interact. energy: -1.979
local terms energy: -374.416404
where:
bonds (distance) C4'-P energy: -67.206
bonds (distance) P-C4' energy: -79.109
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -57.034
tors. eta vs tors. theta energy: -95.111
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1350.502799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.502799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.302799 (E_RNA)
where:
Base-Base interactions energy: -808.513
where: short stacking energy: -333.218
Base-Backbone interact. energy: -3.508
local terms energy: -333.281825
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -72.873
flat angles C4'-P-C4' energy: -77.649
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -77.662
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1244.236488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.236488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.636488 (E_RNA)
where:
Base-Base interactions energy: -720.965
where: short stacking energy: -297.159
Base-Backbone interact. energy: -4.660
local terms energy: -317.010956
where:
bonds (distance) C4'-P energy: -56.803
bonds (distance) P-C4' energy: -69.925
flat angles C4'-P-C4' energy: -75.869
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -69.299
Dist. restrs. and SS energy: -201.600 (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: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1274.334488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.334488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.534488 (E_RNA)
where:
Base-Base interactions energy: -742.245
where: short stacking energy: -301.414
Base-Backbone interact. energy: -1.091
local terms energy: -322.198730
where:
bonds (distance) C4'-P energy: -61.828
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -75.175
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -85.774
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1206.014225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.014225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.014225 (E_RNA)
where:
Base-Base interactions energy: -675.654
where: short stacking energy: -259.887
Base-Backbone interact. energy: -3.539
local terms energy: -310.821836
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -52.667
tors. eta vs tors. theta energy: -66.626
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1143.279836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.079836 (E_RNA)
where:
Base-Base interactions energy: -667.830
where: short stacking energy: -261.596
Base-Backbone interact. energy: 0.746
local terms energy: -279.996070
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -72.419
flat angles C4'-P-C4' energy: -60.205
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -55.148
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1060.696673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.696673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.896673 (E_RNA)
where:
Base-Base interactions energy: -617.902
where: short stacking energy: -268.353
Base-Backbone interact. energy: 4.843
local terms energy: -265.838059
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -67.794
flat angles C4'-P-C4' energy: -62.332
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -981.304630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.304630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.104630 (E_RNA)
where:
Base-Base interactions energy: -532.338
where: short stacking energy: -215.193
Base-Backbone interact. energy: -0.488
local terms energy: -252.278916
where:
bonds (distance) C4'-P energy: -55.297
bonds (distance) P-C4' energy: -63.357
flat angles C4'-P-C4' energy: -63.125
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -40.014
Dist. restrs. and SS energy: -196.200 (S_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: 428
Temperature: 0.900000
Total energy: -1484.843627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.843627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.643627 (E_RNA)
where:
Base-Base interactions energy: -903.227
where: short stacking energy: -336.127
Base-Backbone interact. energy: -2.794
local terms energy: -364.622136
where:
bonds (distance) C4'-P energy: -71.747
bonds (distance) P-C4' energy: -71.475
flat angles C4'-P-C4' energy: -84.528
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -87.873
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1411.496005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.496005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.496005 (E_RNA)
where:
Base-Base interactions energy: -842.202
where: short stacking energy: -338.563
Base-Backbone interact. energy: -2.384
local terms energy: -359.909585
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -74.396
flat angles C4'-P-C4' energy: -75.382
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -94.459
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1391.000104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.000104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.800104 (E_RNA)
where:
Base-Base interactions energy: -818.563
where: short stacking energy: -341.522
Base-Backbone interact. energy: -1.397
local terms energy: -365.840861
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -74.299
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -58.085
tors. eta vs tors. theta energy: -90.701
Dist. restrs. and SS energy: -205.200 (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: 428
Temperature: 1.050000
Total energy: -1374.138062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.138062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.138062 (E_RNA)
where:
Base-Base interactions energy: -816.549
where: short stacking energy: -327.436
Base-Backbone interact. energy: -2.045
local terms energy: -348.544872
where:
bonds (distance) C4'-P energy: -59.537
bonds (distance) P-C4' energy: -74.433
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -39.869
tors. eta vs tors. theta energy: -99.050
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1267.307819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.307819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.307819 (E_RNA)
where:
Base-Base interactions energy: -717.589
where: short stacking energy: -285.146
Base-Backbone interact. energy: -1.871
local terms energy: -340.847519
where:
bonds (distance) C4'-P energy: -72.007
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -76.043
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -76.926
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1217.258788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.258788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.058788 (E_RNA)
where:
Base-Base interactions energy: -711.509
where: short stacking energy: -279.522
Base-Backbone interact. energy: 0.659
local terms energy: -310.209165
where:
bonds (distance) C4'-P energy: -53.962
bonds (distance) P-C4' energy: -73.289
flat angles C4'-P-C4' energy: -63.636
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -74.954
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1160.242863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.242863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.042863 (E_RNA)
where:
Base-Base interactions energy: -669.122
where: short stacking energy: -264.340
Base-Backbone interact. energy: -3.581
local terms energy: -291.339719
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -59.543
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -51.863
tors. eta vs tors. theta energy: -62.949
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1191.690662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.690662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.890662 (E_RNA)
where:
Base-Base interactions energy: -672.456
where: short stacking energy: -270.661
Base-Backbone interact. energy: 3.283
local terms energy: -304.717661
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -63.597
flat angles C4'-P-C4' energy: -75.421
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -73.336
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1068.864672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.864672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.864672 (E_RNA)
where:
Base-Base interactions energy: -601.580
where: short stacking energy: -240.458
Base-Backbone interact. energy: 5.495
local terms energy: -292.779249
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -63.576
flat angles P-C4'-P energy: -40.846
tors. eta vs tors. theta energy: -50.938
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1004.668392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.668392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.268392 (E_RNA)
where:
Base-Base interactions energy: -580.618
where: short stacking energy: -232.042
Base-Backbone interact. energy: -4.094
local terms energy: -243.556542
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -59.093
flat angles P-C4'-P energy: -46.660
tors. eta vs tors. theta energy: -31.282
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1482.739805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.939805 (E_RNA)
where:
Base-Base interactions energy: -902.831
where: short stacking energy: -334.139
Base-Backbone interact. energy: -1.140
local terms energy: -360.968634
where:
bonds (distance) C4'-P energy: -73.636
bonds (distance) P-C4' energy: -71.444
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -82.747
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1431.594139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.594139 (E_RNA)
where:
Base-Base interactions energy: -843.797
where: short stacking energy: -349.109
Base-Backbone interact. energy: -1.449
local terms energy: -379.347892
where:
bonds (distance) C4'-P energy: -68.176
bonds (distance) P-C4' energy: -74.622
flat angles C4'-P-C4' energy: -84.903
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -95.629
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1385.972938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.972938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.172938 (E_RNA)
where:
Base-Base interactions energy: -819.379
where: short stacking energy: -320.182
Base-Backbone interact. energy: 0.769
local terms energy: -358.562899
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -78.895
flat angles C4'-P-C4' energy: -79.181
flat angles P-C4'-P energy: -51.771
tors. eta vs tors. theta energy: -90.293
Dist. restrs. and SS energy: -208.800 (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: 429
Temperature: 1.050000
Total energy: -1360.978120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.978120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.778120 (E_RNA)
where:
Base-Base interactions energy: -809.240
where: short stacking energy: -327.543
Base-Backbone interact. energy: 0.384
local terms energy: -346.921321
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -69.228
flat angles C4'-P-C4' energy: -72.522
flat angles P-C4'-P energy: -50.035
tors. eta vs tors. theta energy: -92.936
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1282.796823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.796823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.796823 (E_RNA)
where:
Base-Base interactions energy: -738.465
where: short stacking energy: -302.472
Base-Backbone interact. energy: 3.032
local terms energy: -340.363827
where:
bonds (distance) C4'-P energy: -65.944
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -76.854
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -87.643
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1202.271314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.271314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.871314 (E_RNA)
where:
Base-Base interactions energy: -680.220
where: short stacking energy: -267.315
Base-Backbone interact. energy: 0.854
local terms energy: -328.505003
where:
bonds (distance) C4'-P energy: -63.580
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -82.490
flat angles P-C4'-P energy: -53.854
tors. eta vs tors. theta energy: -64.820
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1140.882663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.882663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.882663 (E_RNA)
where:
Base-Base interactions energy: -638.645
where: short stacking energy: -248.730
Base-Backbone interact. energy: -0.150
local terms energy: -304.087450
where:
bonds (distance) C4'-P energy: -65.001
bonds (distance) P-C4' energy: -61.749
flat angles C4'-P-C4' energy: -68.950
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -63.068
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1129.325722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.325722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.725722 (E_RNA)
where:
Base-Base interactions energy: -652.254
where: short stacking energy: -265.775
Base-Backbone interact. energy: -0.007
local terms energy: -266.465014
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -55.532
flat angles C4'-P-C4' energy: -59.861
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: -210.600 (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: 429
Temperature: 1.300000
Total energy: -1049.780125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.780125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.580125 (E_RNA)
where:
Base-Base interactions energy: -592.888
where: short stacking energy: -231.215
Base-Backbone interact. energy: -0.460
local terms energy: -278.232115
where:
bonds (distance) C4'-P energy: -57.008
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -45.826
tors. eta vs tors. theta energy: -54.739
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1025.414957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.414957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.814957 (E_RNA)
where:
Base-Base interactions energy: -643.351
where: short stacking energy: -234.272
Base-Backbone interact. energy: 4.669
local terms energy: -203.133652
where:
bonds (distance) C4'-P energy: -45.833
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -42.795
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1482.015004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.015004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.015004 (E_RNA)
where:
Base-Base interactions energy: -886.667
where: short stacking energy: -341.751
Base-Backbone interact. energy: -1.367
local terms energy: -377.981230
where:
bonds (distance) C4'-P energy: -76.069
bonds (distance) P-C4' energy: -79.367
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: -86.225
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1399.013444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.013444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.813444 (E_RNA)
where:
Base-Base interactions energy: -830.175
where: short stacking energy: -330.048
Base-Backbone interact. energy: -2.595
local terms energy: -361.043858
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -66.137
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -90.841
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1395.422694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.422694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.622694 (E_RNA)
where:
Base-Base interactions energy: -818.520
where: short stacking energy: -339.722
Base-Backbone interact. energy: -2.302
local terms energy: -365.801122
where:
bonds (distance) C4'-P energy: -61.622
bonds (distance) P-C4' energy: -68.901
flat angles C4'-P-C4' energy: -84.347
flat angles P-C4'-P energy: -52.255
tors. eta vs tors. theta energy: -98.676
Dist. restrs. and SS energy: -208.800 (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: 430
Temperature: 1.050000
Total energy: -1367.073901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.073901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.873901 (E_RNA)
where:
Base-Base interactions energy: -805.787
where: short stacking energy: -350.394
Base-Backbone interact. energy: -1.814
local terms energy: -354.272755
where:
bonds (distance) C4'-P energy: -68.227
bonds (distance) P-C4' energy: -60.578
flat angles C4'-P-C4' energy: -79.538
flat angles P-C4'-P energy: -49.697
tors. eta vs tors. theta energy: -96.234
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1287.514324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.514324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.914324 (E_RNA)
where:
Base-Base interactions energy: -735.742
where: short stacking energy: -298.189
Base-Backbone interact. energy: -0.717
local terms energy: -340.455511
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -60.138
flat angles C4'-P-C4' energy: -79.774
flat angles P-C4'-P energy: -53.094
tors. eta vs tors. theta energy: -86.584
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1200.785068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.785068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.785068 (E_RNA)
where:
Base-Base interactions energy: -694.547
where: short stacking energy: -286.503
Base-Backbone interact. energy: -1.582
local terms energy: -306.656657
where:
bonds (distance) C4'-P energy: -62.556
bonds (distance) P-C4' energy: -60.198
flat angles C4'-P-C4' energy: -72.550
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: -71.717
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1165.309423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.309423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.709423 (E_RNA)
where:
Base-Base interactions energy: -665.465
where: short stacking energy: -260.116
Base-Backbone interact. energy: -1.729
local terms energy: -287.515784
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -65.003
flat angles C4'-P-C4' energy: -65.797
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -61.378
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1156.990502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.990502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.190502 (E_RNA)
where:
Base-Base interactions energy: -681.745
where: short stacking energy: -265.763
Base-Backbone interact. energy: -2.356
local terms energy: -273.089744
where:
bonds (distance) C4'-P energy: -60.507
bonds (distance) P-C4' energy: -57.293
flat angles C4'-P-C4' energy: -59.391
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -61.573
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1034.725868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.925868 (E_RNA)
where:
Base-Base interactions energy: -602.909
where: short stacking energy: -229.472
Base-Backbone interact. energy: 1.592
local terms energy: -251.608879
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -66.815
flat angles P-C4'-P energy: -32.503
tors. eta vs tors. theta energy: -48.647
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1049.342420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.342420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.742420 (E_RNA)
where:
Base-Base interactions energy: -603.106
where: short stacking energy: -255.604
Base-Backbone interact. energy: 1.737
local terms energy: -264.373275
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -52.939
flat angles C4'-P-C4' energy: -51.884
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -66.251
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1470.037421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.037421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.237421 (E_RNA)
where:
Base-Base interactions energy: -889.563
where: short stacking energy: -332.366
Base-Backbone interact. energy: -3.490
local terms energy: -359.184555
where:
bonds (distance) C4'-P energy: -63.321
bonds (distance) P-C4' energy: -79.208
flat angles C4'-P-C4' energy: -82.922
flat angles P-C4'-P energy: -54.237
tors. eta vs tors. theta energy: -79.497
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1408.366390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.366390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.966390 (E_RNA)
where:
Base-Base interactions energy: -841.631
where: short stacking energy: -340.635
Base-Backbone interact. energy: -1.674
local terms energy: -361.661082
where:
bonds (distance) C4'-P energy: -58.967
bonds (distance) P-C4' energy: -73.992
flat angles C4'-P-C4' energy: -85.919
flat angles P-C4'-P energy: -55.721
tors. eta vs tors. theta energy: -87.063
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1388.437916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.437916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.837916 (E_RNA)
where:
Base-Base interactions energy: -823.263
where: short stacking energy: -351.267
Base-Backbone interact. energy: -1.695
local terms energy: -361.880411
where:
bonds (distance) C4'-P energy: -69.388
bonds (distance) P-C4' energy: -68.345
flat angles C4'-P-C4' energy: -74.729
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -94.730
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1354.921740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.921740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.321740 (E_RNA)
where:
Base-Base interactions energy: -818.355
where: short stacking energy: -348.300
Base-Backbone interact. energy: 0.057
local terms energy: -335.024419
where:
bonds (distance) C4'-P energy: -57.780
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -81.204
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -93.515
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1257.703727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.703727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.303727 (E_RNA)
where:
Base-Base interactions energy: -731.614
where: short stacking energy: -302.510
Base-Backbone interact. energy: -0.140
local terms energy: -322.549826
where:
bonds (distance) C4'-P energy: -73.382
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -67.060
flat angles P-C4'-P energy: -55.758
tors. eta vs tors. theta energy: -64.056
Dist. restrs. and SS energy: -203.400 (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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1226.737524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.737524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.537524 (E_RNA)
where:
Base-Base interactions energy: -700.176
where: short stacking energy: -296.620
Base-Backbone interact. energy: -3.951
local terms energy: -308.411146
where:
bonds (distance) C4'-P energy: -58.476
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -73.198
flat angles P-C4'-P energy: -39.731
tors. eta vs tors. theta energy: -78.119
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1142.996711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.996711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.196711 (E_RNA)
where:
Base-Base interactions energy: -657.885
where: short stacking energy: -247.489
Base-Backbone interact. energy: 1.213
local terms energy: -286.524637
where:
bonds (distance) C4'-P energy: -56.926
bonds (distance) P-C4' energy: -52.110
flat angles C4'-P-C4' energy: -74.671
flat angles P-C4'-P energy: -50.680
tors. eta vs tors. theta energy: -52.138
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1099.451420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.451420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.851420 (E_RNA)
where:
Base-Base interactions energy: -608.628
where: short stacking energy: -248.221
Base-Backbone interact. energy: 2.201
local terms energy: -291.424203
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -73.380
flat angles C4'-P-C4' energy: -62.021
flat angles P-C4'-P energy: -43.844
tors. eta vs tors. theta energy: -51.839
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1029.928985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.528985 (E_RNA)
where:
Base-Base interactions energy: -563.155
where: short stacking energy: -223.949
Base-Backbone interact. energy: 1.931
local terms energy: -283.304324
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -65.474
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1017.490855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.490855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.890855 (E_RNA)
where:
Base-Base interactions energy: -550.634
where: short stacking energy: -227.354
Base-Backbone interact. energy: 2.804
local terms energy: -286.060786
where:
bonds (distance) C4'-P energy: -57.810
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -58.846
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1465.943225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.943225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.543225 (E_RNA)
where:
Base-Base interactions energy: -886.638
where: short stacking energy: -344.265
Base-Backbone interact. energy: 1.380
local terms energy: -368.284691
where:
bonds (distance) C4'-P energy: -77.883
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -78.347
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -90.677
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1402.056350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.056350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.056350 (E_RNA)
where:
Base-Base interactions energy: -820.303
where: short stacking energy: -340.799
Base-Backbone interact. energy: 2.286
local terms energy: -377.039879
where:
bonds (distance) C4'-P energy: -70.973
bonds (distance) P-C4' energy: -79.391
flat angles C4'-P-C4' energy: -78.715
flat angles P-C4'-P energy: -50.767
tors. eta vs tors. theta energy: -97.193
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1381.210976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.210976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.410976 (E_RNA)
where:
Base-Base interactions energy: -814.814
where: short stacking energy: -342.531
Base-Backbone interact. energy: -2.117
local terms energy: -355.480011
where:
bonds (distance) C4'-P energy: -59.318
bonds (distance) P-C4' energy: -62.871
flat angles C4'-P-C4' energy: -82.404
flat angles P-C4'-P energy: -55.618
tors. eta vs tors. theta energy: -95.269
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1364.435828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.435828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.035828 (E_RNA)
where:
Base-Base interactions energy: -823.208
where: short stacking energy: -328.897
Base-Backbone interact. energy: 0.756
local terms energy: -338.584046
where:
bonds (distance) C4'-P energy: -64.272
bonds (distance) P-C4' energy: -60.631
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -88.465
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1273.323185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.323185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.523185 (E_RNA)
where:
Base-Base interactions energy: -734.952
where: short stacking energy: -319.914
Base-Backbone interact. energy: -1.203
local terms energy: -319.367418
where:
bonds (distance) C4'-P energy: -65.713
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -73.842
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -80.528
Dist. restrs. and SS energy: -217.800 (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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1230.829335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.829335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.829335 (E_RNA)
where:
Base-Base interactions energy: -702.600
where: short stacking energy: -286.835
Base-Backbone interact. energy: -0.861
local terms energy: -320.368198
where:
bonds (distance) C4'-P energy: -58.848
bonds (distance) P-C4' energy: -71.007
flat angles C4'-P-C4' energy: -74.121
flat angles P-C4'-P energy: -45.330
tors. eta vs tors. theta energy: -71.062
Dist. restrs. and SS energy: -207.000 (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: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1145.831896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.831896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.031896 (E_RNA)
where:
Base-Base interactions energy: -646.346
where: short stacking energy: -234.261
Base-Backbone interact. energy: 0.391
local terms energy: -300.076809
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -67.328
flat angles C4'-P-C4' energy: -68.770
flat angles P-C4'-P energy: -59.052
tors. eta vs tors. theta energy: -52.402
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1105.013705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.013705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.613705 (E_RNA)
where:
Base-Base interactions energy: -642.498
where: short stacking energy: -239.973
Base-Backbone interact. energy: -1.891
local terms energy: -266.224895
where:
bonds (distance) C4'-P energy: -52.705
bonds (distance) P-C4' energy: -55.043
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -60.217
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1052.493351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.493351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.893351 (E_RNA)
where:
Base-Base interactions energy: -587.779
where: short stacking energy: -238.976
Base-Backbone interact. energy: -0.811
local terms energy: -280.303021
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -66.578
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -54.702
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -978.946620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.946620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.346620 (E_RNA)
where:
Base-Base interactions energy: -560.387
where: short stacking energy: -221.613
Base-Backbone interact. energy: 9.726
local terms energy: -244.685585
where:
bonds (distance) C4'-P energy: -48.762
bonds (distance) P-C4' energy: -70.032
flat angles C4'-P-C4' energy: -44.581
flat angles P-C4'-P energy: -41.306
tors. eta vs tors. theta energy: -40.005
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1471.180733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.180733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.980733 (E_RNA)
where:
Base-Base interactions energy: -881.011
where: short stacking energy: -339.102
Base-Backbone interact. energy: -1.270
local terms energy: -374.699682
where:
bonds (distance) C4'-P energy: -73.538
bonds (distance) P-C4' energy: -75.942
flat angles C4'-P-C4' energy: -82.151
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -88.716
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1421.903180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.903180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.303180 (E_RNA)
where:
Base-Base interactions energy: -850.116
where: short stacking energy: -337.761
Base-Backbone interact. energy: -2.445
local terms energy: -358.741669
where:
bonds (distance) C4'-P energy: -76.859
bonds (distance) P-C4' energy: -73.955
flat angles C4'-P-C4' energy: -73.929
flat angles P-C4'-P energy: -50.021
tors. eta vs tors. theta energy: -83.977
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1352.176120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.576120 (E_RNA)
where:
Base-Base interactions energy: -787.048
where: short stacking energy: -318.314
Base-Backbone interact. energy: 1.562
local terms energy: -365.090715
where:
bonds (distance) C4'-P energy: -76.852
bonds (distance) P-C4' energy: -72.267
flat angles C4'-P-C4' energy: -76.928
flat angles P-C4'-P energy: -49.663
tors. eta vs tors. theta energy: -89.381
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1355.458192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.458192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.058192 (E_RNA)
where:
Base-Base interactions energy: -808.406
where: short stacking energy: -329.996
Base-Backbone interact. energy: -1.392
local terms energy: -351.260209
where:
bonds (distance) C4'-P energy: -65.609
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -50.774
tors. eta vs tors. theta energy: -92.965
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1296.696828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.696828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.896828 (E_RNA)
where:
Base-Base interactions energy: -753.184
where: short stacking energy: -305.786
Base-Backbone interact. energy: 1.280
local terms energy: -335.992145
where:
bonds (distance) C4'-P energy: -71.862
bonds (distance) P-C4' energy: -66.080
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -81.072
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1232.720409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.720409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.120409 (E_RNA)
where:
Base-Base interactions energy: -706.242
where: short stacking energy: -276.680
Base-Backbone interact. energy: 0.985
local terms energy: -325.863460
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -56.027
flat angles C4'-P-C4' energy: -72.479
flat angles P-C4'-P energy: -57.559
tors. eta vs tors. theta energy: -72.967
Dist. restrs. and SS energy: -201.600 (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: 433
Temperature: 1.200000
Total energy: -1178.888553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.888553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.488553 (E_RNA)
where:
Base-Base interactions energy: -683.921
where: short stacking energy: -282.231
Base-Backbone interact. energy: -3.890
local terms energy: -278.676862
where:
bonds (distance) C4'-P energy: -48.771
bonds (distance) P-C4' energy: -59.424
flat angles C4'-P-C4' energy: -66.890
flat angles P-C4'-P energy: -43.450
tors. eta vs tors. theta energy: -60.141
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1173.205492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.205492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.005492 (E_RNA)
where:
Base-Base interactions energy: -668.923
where: short stacking energy: -244.229
Base-Backbone interact. energy: 0.826
local terms energy: -308.908840
where:
bonds (distance) C4'-P energy: -67.136
bonds (distance) P-C4' energy: -72.409
flat angles C4'-P-C4' energy: -69.315
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -57.798
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1040.028585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.028585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.228585 (E_RNA)
where:
Base-Base interactions energy: -601.067
where: short stacking energy: -246.055
Base-Backbone interact. energy: 2.325
local terms energy: -259.486277
where:
bonds (distance) C4'-P energy: -51.387
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -46.752
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1008.686630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.686630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.886630 (E_RNA)
where:
Base-Base interactions energy: -592.317
where: short stacking energy: -234.010
Base-Backbone interact. energy: 0.637
local terms energy: -235.206914
where:
bonds (distance) C4'-P energy: -53.941
bonds (distance) P-C4' energy: -43.424
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -30.852
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1463.213286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.213286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.813286 (E_RNA)
where:
Base-Base interactions energy: -871.083
where: short stacking energy: -340.390
Base-Backbone interact. energy: -1.350
local terms energy: -378.380663
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -72.468
flat angles C4'-P-C4' energy: -80.514
flat angles P-C4'-P energy: -57.285
tors. eta vs tors. theta energy: -89.452
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1392.126800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.126800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.326800 (E_RNA)
where:
Base-Base interactions energy: -828.690
where: short stacking energy: -349.724
Base-Backbone interact. energy: 1.457
local terms energy: -356.094389
where:
bonds (distance) C4'-P energy: -64.261
bonds (distance) P-C4' energy: -68.003
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -61.742
tors. eta vs tors. theta energy: -85.146
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1369.553205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.553205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.353205 (E_RNA)
where:
Base-Base interactions energy: -811.767
where: short stacking energy: -350.387
Base-Backbone interact. energy: -0.017
local terms energy: -352.568535
where:
bonds (distance) C4'-P energy: -59.703
bonds (distance) P-C4' energy: -71.823
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -98.333
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1346.159762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.159762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.959762 (E_RNA)
where:
Base-Base interactions energy: -771.445
where: short stacking energy: -313.289
Base-Backbone interact. energy: -1.797
local terms energy: -367.717350
where:
bonds (distance) C4'-P energy: -71.054
bonds (distance) P-C4' energy: -65.221
flat angles C4'-P-C4' energy: -82.371
flat angles P-C4'-P energy: -51.893
tors. eta vs tors. theta energy: -97.177
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1301.624874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.624874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.624874 (E_RNA)
where:
Base-Base interactions energy: -752.475
where: short stacking energy: -311.005
Base-Backbone interact. energy: 1.257
local terms energy: -343.406890
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -72.109
flat angles C4'-P-C4' energy: -72.782
flat angles P-C4'-P energy: -60.940
tors. eta vs tors. theta energy: -84.294
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1205.085855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.085855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.285855 (E_RNA)
where:
Base-Base interactions energy: -699.192
where: short stacking energy: -267.488
Base-Backbone interact. energy: 2.114
local terms energy: -317.207976
where:
bonds (distance) C4'-P energy: -64.481
bonds (distance) P-C4' energy: -69.871
flat angles C4'-P-C4' energy: -65.444
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -75.820
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1201.084864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.084864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.884864 (E_RNA)
where:
Base-Base interactions energy: -686.517
where: short stacking energy: -268.426
Base-Backbone interact. energy: -0.994
local terms energy: -299.373233
where:
bonds (distance) C4'-P energy: -61.691
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -71.742
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: -78.477
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1139.356327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.356327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.756327 (E_RNA)
where:
Base-Base interactions energy: -644.237
where: short stacking energy: -253.896
Base-Backbone interact. energy: -2.515
local terms energy: -300.004182
where:
bonds (distance) C4'-P energy: -58.676
bonds (distance) P-C4' energy: -70.112
flat angles C4'-P-C4' energy: -66.889
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -59.584
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1034.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.935040 (E_RNA)
where:
Base-Base interactions energy: -597.297
where: short stacking energy: -236.276
Base-Backbone interact. energy: -0.755
local terms energy: -250.883171
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -59.793
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -40.503
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1040.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.339957 (E_RNA)
where:
Base-Base interactions energy: -568.283
where: short stacking energy: -225.533
Base-Backbone interact. energy: -1.042
local terms energy: -289.014742
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -69.614
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1466.680975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.680975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.480975 (E_RNA)
where:
Base-Base interactions energy: -880.425
where: short stacking energy: -337.566
Base-Backbone interact. energy: -3.324
local terms energy: -368.732235
where:
bonds (distance) C4'-P energy: -74.403
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: -86.752
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1431.985770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.985770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.785770 (E_RNA)
where:
Base-Base interactions energy: -839.894
where: short stacking energy: -361.090
Base-Backbone interact. energy: -2.610
local terms energy: -384.282054
where:
bonds (distance) C4'-P energy: -68.816
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -82.885
flat angles P-C4'-P energy: -48.342
tors. eta vs tors. theta energy: -109.318
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1373.736506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.736506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.936506 (E_RNA)
where:
Base-Base interactions energy: -802.349
where: short stacking energy: -326.284
Base-Backbone interact. energy: -2.249
local terms energy: -360.339192
where:
bonds (distance) C4'-P energy: -69.006
bonds (distance) P-C4' energy: -74.889
flat angles C4'-P-C4' energy: -80.592
flat angles P-C4'-P energy: -51.675
tors. eta vs tors. theta energy: -84.176
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1355.379964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.379964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.779964 (E_RNA)
where:
Base-Base interactions energy: -811.189
where: short stacking energy: -325.549
Base-Backbone interact. energy: -1.758
local terms energy: -340.833302
where:
bonds (distance) C4'-P energy: -70.697
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: -96.954
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1280.457636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.457636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.857636 (E_RNA)
where:
Base-Base interactions energy: -748.251
where: short stacking energy: -303.162
Base-Backbone interact. energy: -1.056
local terms energy: -320.551038
where:
bonds (distance) C4'-P energy: -53.999
bonds (distance) P-C4' energy: -72.722
flat angles C4'-P-C4' energy: -70.659
flat angles P-C4'-P energy: -48.374
tors. eta vs tors. theta energy: -74.798
Dist. restrs. and SS energy: -210.600 (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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1218.939997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.939997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.139997 (E_RNA)
where:
Base-Base interactions energy: -704.463
where: short stacking energy: -293.856
Base-Backbone interact. energy: 1.526
local terms energy: -307.203006
where:
bonds (distance) C4'-P energy: -61.857
bonds (distance) P-C4' energy: -64.899
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -63.783
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1171.693816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.693816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.293816 (E_RNA)
where:
Base-Base interactions energy: -679.953
where: short stacking energy: -268.567
Base-Backbone interact. energy: -0.523
local terms energy: -296.817426
where:
bonds (distance) C4'-P energy: -57.659
bonds (distance) P-C4' energy: -69.372
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -37.485
tors. eta vs tors. theta energy: -71.483
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1143.578627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.578627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.378627 (E_RNA)
where:
Base-Base interactions energy: -659.489
where: short stacking energy: -258.766
Base-Backbone interact. energy: 1.983
local terms energy: -289.871834
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -63.343
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1059.608535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.608535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.008535 (E_RNA)
where:
Base-Base interactions energy: -621.001
where: short stacking energy: -251.117
Base-Backbone interact. energy: -1.561
local terms energy: -253.446224
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -62.705
flat angles P-C4'-P energy: -32.895
tors. eta vs tors. theta energy: -62.549
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1015.275028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.275028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.875028 (E_RNA)
where:
Base-Base interactions energy: -591.520
where: short stacking energy: -244.416
Base-Backbone interact. energy: -2.161
local terms energy: -245.194289
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -39.578
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1478.352564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.152564 (E_RNA)
where:
Base-Base interactions energy: -908.098
where: short stacking energy: -351.178
Base-Backbone interact. energy: -1.401
local terms energy: -354.653242
where:
bonds (distance) C4'-P energy: -67.783
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -69.167
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -87.388
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1432.069234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.069234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.669234 (E_RNA)
where:
Base-Base interactions energy: -841.088
where: short stacking energy: -366.262
Base-Backbone interact. energy: -1.093
local terms energy: -386.489123
where:
bonds (distance) C4'-P energy: -70.364
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -82.869
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -108.906
Dist. restrs. and SS energy: -203.400 (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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1354.374597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.374597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.374597 (E_RNA)
where:
Base-Base interactions energy: -786.964
where: short stacking energy: -315.707
Base-Backbone interact. energy: -3.247
local terms energy: -357.164537
where:
bonds (distance) C4'-P energy: -62.778
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -76.890
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -97.095
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1353.103192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.103192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.103192 (E_RNA)
where:
Base-Base interactions energy: -789.721
where: short stacking energy: -323.346
Base-Backbone interact. energy: -2.034
local terms energy: -354.347239
where:
bonds (distance) C4'-P energy: -73.016
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -79.870
flat angles P-C4'-P energy: -52.143
tors. eta vs tors. theta energy: -84.465
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1301.947685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.947685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.747685 (E_RNA)
where:
Base-Base interactions energy: -762.979
where: short stacking energy: -307.570
Base-Backbone interact. energy: 1.527
local terms energy: -326.296385
where:
bonds (distance) C4'-P energy: -68.580
bonds (distance) P-C4' energy: -64.659
flat angles C4'-P-C4' energy: -75.378
flat angles P-C4'-P energy: -46.147
tors. eta vs tors. theta energy: -71.532
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1238.844916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.844916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.844916 (E_RNA)
where:
Base-Base interactions energy: -703.427
where: short stacking energy: -294.497
Base-Backbone interact. energy: 1.436
local terms energy: -320.853275
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -72.982
Dist. restrs. and SS energy: -216.000 (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: 436
Temperature: 1.200000
Total energy: -1170.158776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.158776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.558776 (E_RNA)
where:
Base-Base interactions energy: -657.396
where: short stacking energy: -267.510
Base-Backbone interact. energy: -0.635
local terms energy: -319.527646
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -65.172
flat angles C4'-P-C4' energy: -78.268
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -63.088
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1136.861616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.861616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.061616 (E_RNA)
where:
Base-Base interactions energy: -678.351
where: short stacking energy: -260.940
Base-Backbone interact. energy: 0.365
local terms energy: -259.074721
where:
bonds (distance) C4'-P energy: -47.336
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -60.876
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1015.933100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.933100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.333100 (E_RNA)
where:
Base-Base interactions energy: -556.892
where: short stacking energy: -220.812
Base-Backbone interact. energy: 0.365
local terms energy: -275.805906
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -68.760
flat angles C4'-P-C4' energy: -65.223
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -48.446
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1073.261167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.261167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.861167 (E_RNA)
where:
Base-Base interactions energy: -624.039
where: short stacking energy: -249.907
Base-Backbone interact. energy: -2.364
local terms energy: -270.458909
where:
bonds (distance) C4'-P energy: -64.553
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -56.371
flat angles P-C4'-P energy: -31.474
tors. eta vs tors. theta energy: -59.918
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1494.554835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.554835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.754835 (E_RNA)
where:
Base-Base interactions energy: -892.799
where: short stacking energy: -340.782
Base-Backbone interact. energy: -3.171
local terms energy: -380.785290
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -81.394
flat angles C4'-P-C4' energy: -79.451
flat angles P-C4'-P energy: -63.264
tors. eta vs tors. theta energy: -90.204
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1401.440420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.440420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.440420 (E_RNA)
where:
Base-Base interactions energy: -813.711
where: short stacking energy: -345.430
Base-Backbone interact. energy: -2.842
local terms energy: -377.887275
where:
bonds (distance) C4'-P energy: -64.904
bonds (distance) P-C4' energy: -82.622
flat angles C4'-P-C4' energy: -84.506
flat angles P-C4'-P energy: -54.122
tors. eta vs tors. theta energy: -91.733
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1370.593513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.593513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.593513 (E_RNA)
where:
Base-Base interactions energy: -805.646
where: short stacking energy: -328.313
Base-Backbone interact. energy: -2.425
local terms energy: -355.521946
where:
bonds (distance) C4'-P energy: -78.215
bonds (distance) P-C4' energy: -57.323
flat angles C4'-P-C4' energy: -77.917
flat angles P-C4'-P energy: -48.904
tors. eta vs tors. theta energy: -93.162
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1378.568387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.568387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.368387 (E_RNA)
where:
Base-Base interactions energy: -838.908
where: short stacking energy: -343.078
Base-Backbone interact. energy: 0.064
local terms energy: -334.523715
where:
bonds (distance) C4'-P energy: -56.753
bonds (distance) P-C4' energy: -64.988
flat angles C4'-P-C4' energy: -76.552
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -83.754
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1298.383108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.383108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.983108 (E_RNA)
where:
Base-Base interactions energy: -741.808
where: short stacking energy: -314.335
Base-Backbone interact. energy: -2.092
local terms energy: -342.083910
where:
bonds (distance) C4'-P energy: -64.774
bonds (distance) P-C4' energy: -67.578
flat angles C4'-P-C4' energy: -73.326
flat angles P-C4'-P energy: -51.650
tors. eta vs tors. theta energy: -84.755
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1220.137992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.137992 (E_RNA)
where:
Base-Base interactions energy: -698.052
where: short stacking energy: -280.487
Base-Backbone interact. energy: -1.533
local terms energy: -304.552909
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -65.648
Dist. restrs. and SS energy: -216.000 (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: 437
Temperature: 1.200000
Total energy: -1186.039350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.039350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.439350 (E_RNA)
where:
Base-Base interactions energy: -678.395
where: short stacking energy: -276.096
Base-Backbone interact. energy: -2.905
local terms energy: -303.139401
where:
bonds (distance) C4'-P energy: -67.358
bonds (distance) P-C4' energy: -69.827
flat angles C4'-P-C4' energy: -61.141
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -63.158
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1145.797332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.797332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.197332 (E_RNA)
where:
Base-Base interactions energy: -647.022
where: short stacking energy: -256.425
Base-Backbone interact. energy: -1.074
local terms energy: -305.101438
where:
bonds (distance) C4'-P energy: -66.197
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -67.244
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -58.966
Dist. restrs. and SS energy: -192.600 (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: 437
Temperature: 1.300000
Total energy: -1042.506058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.506058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.106058 (E_RNA)
where:
Base-Base interactions energy: -577.659
where: short stacking energy: -233.249
Base-Backbone interact. energy: 0.486
local terms energy: -279.932684
where:
bonds (distance) C4'-P energy: -68.368
bonds (distance) P-C4' energy: -55.488
flat angles C4'-P-C4' energy: -59.096
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -60.607
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1034.925356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.925356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.325356 (E_RNA)
where:
Base-Base interactions energy: -602.084
where: short stacking energy: -240.396
Base-Backbone interact. energy: 0.185
local terms energy: -249.425999
where:
bonds (distance) C4'-P energy: -54.826
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1479.378462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.378462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.578462 (E_RNA)
where:
Base-Base interactions energy: -906.567
where: short stacking energy: -352.272
Base-Backbone interact. energy: -1.440
local terms energy: -353.570961
where:
bonds (distance) C4'-P energy: -67.530
bonds (distance) P-C4' energy: -84.133
flat angles C4'-P-C4' energy: -73.334
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -84.003
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1405.386038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.386038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.386038 (E_RNA)
where:
Base-Base interactions energy: -812.447
where: short stacking energy: -330.705
Base-Backbone interact. energy: -1.044
local terms energy: -384.895303
where:
bonds (distance) C4'-P energy: -72.139
bonds (distance) P-C4' energy: -70.061
flat angles C4'-P-C4' energy: -84.679
flat angles P-C4'-P energy: -60.237
tors. eta vs tors. theta energy: -97.779
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1359.215412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.215412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.215412 (E_RNA)
where:
Base-Base interactions energy: -802.378
where: short stacking energy: -340.457
Base-Backbone interact. energy: -1.401
local terms energy: -348.436325
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -83.340
flat angles P-C4'-P energy: -54.657
tors. eta vs tors. theta energy: -93.001
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1340.231002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.231002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.831002 (E_RNA)
where:
Base-Base interactions energy: -773.690
where: short stacking energy: -300.385
Base-Backbone interact. energy: -4.034
local terms energy: -359.106944
where:
bonds (distance) C4'-P energy: -70.425
bonds (distance) P-C4' energy: -70.687
flat angles C4'-P-C4' energy: -75.740
flat angles P-C4'-P energy: -52.893
tors. eta vs tors. theta energy: -89.362
Dist. restrs. and SS energy: -203.400 (S_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: 438
Temperature: 1.100000
Total energy: -1293.112085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.112085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.912085 (E_RNA)
where:
Base-Base interactions energy: -736.347
where: short stacking energy: -299.315
Base-Backbone interact. energy: -2.574
local terms energy: -339.991364
where:
bonds (distance) C4'-P energy: -67.441
bonds (distance) P-C4' energy: -65.515
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -53.708
tors. eta vs tors. theta energy: -79.768
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1218.103713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.103713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.703713 (E_RNA)
where:
Base-Base interactions energy: -703.437
where: short stacking energy: -287.353
Base-Backbone interact. energy: -0.319
local terms energy: -301.947080
where:
bonds (distance) C4'-P energy: -60.108
bonds (distance) P-C4' energy: -62.128
flat angles C4'-P-C4' energy: -64.734
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -69.977
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1168.960686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.960686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.960686 (E_RNA)
where:
Base-Base interactions energy: -670.211
where: short stacking energy: -256.930
Base-Backbone interact. energy: 0.554
local terms energy: -301.304126
where:
bonds (distance) C4'-P energy: -58.434
bonds (distance) P-C4' energy: -72.917
flat angles C4'-P-C4' energy: -65.384
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -56.452
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1150.868655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.868655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.068655 (E_RNA)
where:
Base-Base interactions energy: -659.023
where: short stacking energy: -264.455
Base-Backbone interact. energy: 1.205
local terms energy: -293.250643
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -60.276
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: -67.578
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1015.004842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.004842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.404842 (E_RNA)
where:
Base-Base interactions energy: -555.941
where: short stacking energy: -233.446
Base-Backbone interact. energy: 0.594
local terms energy: -276.058501
where:
bonds (distance) C4'-P energy: -69.827
bonds (distance) P-C4' energy: -56.120
flat angles C4'-P-C4' energy: -68.888
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -51.554
Dist. restrs. and SS energy: -183.600 (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: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1047.056497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.056497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.256497 (E_RNA)
where:
Base-Base interactions energy: -600.171
where: short stacking energy: -220.790
Base-Backbone interact. energy: 1.883
local terms energy: -266.968301
where:
bonds (distance) C4'-P energy: -60.101
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -72.275
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -47.417
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1491.701027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.701027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.901027 (E_RNA)
where:
Base-Base interactions energy: -911.619
where: short stacking energy: -354.275
Base-Backbone interact. energy: -1.597
local terms energy: -360.685612
where:
bonds (distance) C4'-P energy: -74.614
bonds (distance) P-C4' energy: -73.921
flat angles C4'-P-C4' energy: -74.373
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -91.298
Dist. restrs. and SS energy: -217.800 (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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1409.654324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.654324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.454324 (E_RNA)
where:
Base-Base interactions energy: -826.919
where: short stacking energy: -356.157
Base-Backbone interact. energy: -2.888
local terms energy: -374.647902
where:
bonds (distance) C4'-P energy: -71.570
bonds (distance) P-C4' energy: -72.848
flat angles C4'-P-C4' energy: -69.774
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -97.469
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1369.061057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.061057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.061057 (E_RNA)
where:
Base-Base interactions energy: -807.822
where: short stacking energy: -317.731
Base-Backbone interact. energy: -1.865
local terms energy: -352.374496
where:
bonds (distance) C4'-P energy: -65.416
bonds (distance) P-C4' energy: -77.329
flat angles C4'-P-C4' energy: -75.699
flat angles P-C4'-P energy: -47.314
tors. eta vs tors. theta energy: -86.616
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1307.927888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.927888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.927888 (E_RNA)
where:
Base-Base interactions energy: -747.044
where: short stacking energy: -296.092
Base-Backbone interact. energy: -3.903
local terms energy: -340.980071
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -72.326
flat angles C4'-P-C4' energy: -71.717
flat angles P-C4'-P energy: -53.846
tors. eta vs tors. theta energy: -78.298
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1317.678974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.678974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.878974 (E_RNA)
where:
Base-Base interactions energy: -784.082
where: short stacking energy: -315.307
Base-Backbone interact. energy: -0.862
local terms energy: -332.935160
where:
bonds (distance) C4'-P energy: -61.572
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -69.887
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -89.562
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1236.012470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.012470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.012470 (E_RNA)
where:
Base-Base interactions energy: -693.493
where: short stacking energy: -291.176
Base-Backbone interact. energy: 0.574
local terms energy: -327.094197
where:
bonds (distance) C4'-P energy: -65.188
bonds (distance) P-C4' energy: -62.580
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -58.171
tors. eta vs tors. theta energy: -70.870
Dist. restrs. and SS energy: -216.000 (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: 439
Temperature: 1.200000
Total energy: -1159.147153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.147153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.147153 (E_RNA)
where:
Base-Base interactions energy: -676.320
where: short stacking energy: -272.185
Base-Backbone interact. energy: -1.298
local terms energy: -292.528950
where:
bonds (distance) C4'-P energy: -62.033
bonds (distance) P-C4' energy: -63.550
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -54.643
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1160.042737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.042737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.842737 (E_RNA)
where:
Base-Base interactions energy: -669.287
where: short stacking energy: -269.978
Base-Backbone interact. energy: 1.059
local terms energy: -295.614970
where:
bonds (distance) C4'-P energy: -69.453
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -60.626
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1021.645678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.645678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.445678 (E_RNA)
where:
Base-Base interactions energy: -573.177
where: short stacking energy: -227.228
Base-Backbone interact. energy: -1.118
local terms energy: -269.151138
where:
bonds (distance) C4'-P energy: -68.228
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -64.119
flat angles P-C4'-P energy: -35.370
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: -178.200 (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: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1020.751327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.751327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.951327 (E_RNA)
where:
Base-Base interactions energy: -575.226
where: short stacking energy: -230.570
Base-Backbone interact. energy: -3.129
local terms energy: -260.596306
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -53.555
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -59.099
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1474.813210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.813210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.813210 (E_RNA)
where:
Base-Base interactions energy: -893.514
where: short stacking energy: -346.486
Base-Backbone interact. energy: 2.158
local terms energy: -367.456860
where:
bonds (distance) C4'-P energy: -71.125
bonds (distance) P-C4' energy: -65.774
flat angles C4'-P-C4' energy: -84.999
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -97.733
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1408.637333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.637333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.637333 (E_RNA)
where:
Base-Base interactions energy: -840.165
where: short stacking energy: -361.394
Base-Backbone interact. energy: -3.074
local terms energy: -358.398693
where:
bonds (distance) C4'-P energy: -73.047
bonds (distance) P-C4' energy: -59.440
flat angles C4'-P-C4' energy: -80.249
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -94.886
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1414.872258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.872258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.872258 (E_RNA)
where:
Base-Base interactions energy: -840.054
where: short stacking energy: -345.159
Base-Backbone interact. energy: -1.011
local terms energy: -366.807232
where:
bonds (distance) C4'-P energy: -78.781
bonds (distance) P-C4' energy: -66.819
flat angles C4'-P-C4' energy: -79.409
flat angles P-C4'-P energy: -52.112
tors. eta vs tors. theta energy: -89.687
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1328.638578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.638578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.438578 (E_RNA)
where:
Base-Base interactions energy: -778.288
where: short stacking energy: -330.911
Base-Backbone interact. energy: 0.760
local terms energy: -336.909978
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -69.771
flat angles C4'-P-C4' energy: -67.730
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -82.482
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1311.567786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.567786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.367786 (E_RNA)
where:
Base-Base interactions energy: -794.904
where: short stacking energy: -316.595
Base-Backbone interact. energy: 0.993
local terms energy: -312.456646
where:
bonds (distance) C4'-P energy: -60.036
bonds (distance) P-C4' energy: -73.703
flat angles C4'-P-C4' energy: -66.866
flat angles P-C4'-P energy: -33.697
tors. eta vs tors. theta energy: -78.155
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1233.732835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.732835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.532835 (E_RNA)
where:
Base-Base interactions energy: -707.802
where: short stacking energy: -279.287
Base-Backbone interact. energy: 3.029
local terms energy: -314.759065
where:
bonds (distance) C4'-P energy: -56.036
bonds (distance) P-C4' energy: -71.419
flat angles C4'-P-C4' energy: -80.410
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -57.417
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1133.345981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.345981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.745981 (E_RNA)
where:
Base-Base interactions energy: -641.699
where: short stacking energy: -245.246
Base-Backbone interact. energy: -1.875
local terms energy: -288.172256
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -65.377
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -46.690
tors. eta vs tors. theta energy: -57.766
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1168.136137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.136137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.536137 (E_RNA)
where:
Base-Base interactions energy: -658.951
where: short stacking energy: -267.050
Base-Backbone interact. energy: 2.499
local terms energy: -310.084049
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -77.002
flat angles P-C4'-P energy: -46.560
tors. eta vs tors. theta energy: -67.456
Dist. restrs. and SS energy: -201.600 (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: 440
Temperature: 1.300000
Total energy: -1017.566032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.566032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.166032 (E_RNA)
where:
Base-Base interactions energy: -570.427
where: short stacking energy: -227.238
Base-Backbone interact. energy: 1.122
local terms energy: -262.861007
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -64.570
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -52.855
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1005.666436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.666436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.866436 (E_RNA)
where:
Base-Base interactions energy: -547.027
where: short stacking energy: -212.345
Base-Backbone interact. energy: -1.040
local terms energy: -275.799119
where:
bonds (distance) C4'-P energy: -61.594
bonds (distance) P-C4' energy: -65.732
flat angles C4'-P-C4' energy: -58.686
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -51.024
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1482.473520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.473520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.473520 (E_RNA)
where:
Base-Base interactions energy: -904.860
where: short stacking energy: -340.735
Base-Backbone interact. energy: -2.420
local terms energy: -359.192803
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -70.643
flat angles C4'-P-C4' energy: -82.884
flat angles P-C4'-P energy: -56.422
tors. eta vs tors. theta energy: -86.735
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1394.693606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.693606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.493606 (E_RNA)
where:
Base-Base interactions energy: -804.711
where: short stacking energy: -335.704
Base-Backbone interact. energy: 0.957
local terms energy: -385.740029
where:
bonds (distance) C4'-P energy: -66.540
bonds (distance) P-C4' energy: -75.960
flat angles C4'-P-C4' energy: -86.643
flat angles P-C4'-P energy: -59.200
tors. eta vs tors. theta energy: -97.397
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1370.259996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.259996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.459996 (E_RNA)
where:
Base-Base interactions energy: -810.615
where: short stacking energy: -316.341
Base-Backbone interact. energy: -3.181
local terms energy: -347.664213
where:
bonds (distance) C4'-P energy: -70.778
bonds (distance) P-C4' energy: -76.864
flat angles C4'-P-C4' energy: -77.658
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -77.562
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1324.960300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.960300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.360300 (E_RNA)
where:
Base-Base interactions energy: -795.613
where: short stacking energy: -306.386
Base-Backbone interact. energy: -1.198
local terms energy: -326.548647
where:
bonds (distance) C4'-P energy: -54.717
bonds (distance) P-C4' energy: -70.271
flat angles C4'-P-C4' energy: -81.434
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -73.200
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1291.347539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.347539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.547539 (E_RNA)
where:
Base-Base interactions energy: -760.608
where: short stacking energy: -317.683
Base-Backbone interact. energy: -2.626
local terms energy: -319.313685
where:
bonds (distance) C4'-P energy: -66.738
bonds (distance) P-C4' energy: -61.031
flat angles C4'-P-C4' energy: -78.672
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -73.896
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1236.302034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.302034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.902034 (E_RNA)
where:
Base-Base interactions energy: -728.695
where: short stacking energy: -285.785
Base-Backbone interact. energy: -1.640
local terms energy: -293.567616
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -64.872
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1139.116626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.116626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.716626 (E_RNA)
where:
Base-Base interactions energy: -657.620
where: short stacking energy: -266.045
Base-Backbone interact. energy: -1.162
local terms energy: -285.934396
where:
bonds (distance) C4'-P energy: -49.265
bonds (distance) P-C4' energy: -64.474
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -66.356
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1193.971368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.971368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.771368 (E_RNA)
where:
Base-Base interactions energy: -680.433
where: short stacking energy: -283.619
Base-Backbone interact. energy: 3.207
local terms energy: -311.545899
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -60.464
flat angles C4'-P-C4' energy: -75.106
flat angles P-C4'-P energy: -46.369
tors. eta vs tors. theta energy: -72.232
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1042.823967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.823967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.823967 (E_RNA)
where:
Base-Base interactions energy: -579.004
where: short stacking energy: -245.214
Base-Backbone interact. energy: -1.946
local terms energy: -281.874342
where:
bonds (distance) C4'-P energy: -61.610
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -61.627
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -60.667
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1006.027330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.027330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.227330 (E_RNA)
where:
Base-Base interactions energy: -579.862
where: short stacking energy: -230.931
Base-Backbone interact. energy: 1.551
local terms energy: -245.916378
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -44.823
flat angles C4'-P-C4' energy: -52.538
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -50.529
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1474.080395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.080395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.880395 (E_RNA)
where:
Base-Base interactions energy: -882.449
where: short stacking energy: -349.455
Base-Backbone interact. energy: -2.541
local terms energy: -374.890265
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -74.522
flat angles C4'-P-C4' energy: -82.918
flat angles P-C4'-P energy: -52.582
tors. eta vs tors. theta energy: -96.808
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1410.786077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.786077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.586077 (E_RNA)
where:
Base-Base interactions energy: -836.099
where: short stacking energy: -348.995
Base-Backbone interact. energy: -1.265
local terms energy: -368.222078
where:
bonds (distance) C4'-P energy: -66.718
bonds (distance) P-C4' energy: -63.261
flat angles C4'-P-C4' energy: -73.085
flat angles P-C4'-P energy: -58.354
tors. eta vs tors. theta energy: -106.804
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1377.917218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.917218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.317218 (E_RNA)
where:
Base-Base interactions energy: -823.400
where: short stacking energy: -333.683
Base-Backbone interact. energy: -4.059
local terms energy: -339.858297
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -59.727
flat angles C4'-P-C4' energy: -77.937
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -85.918
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1336.455526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.455526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.655526 (E_RNA)
where:
Base-Base interactions energy: -785.417
where: short stacking energy: -339.025
Base-Backbone interact. energy: -1.972
local terms energy: -340.266672
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -58.533
flat angles C4'-P-C4' energy: -72.390
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -85.740
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1286.168027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.168027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.768027 (E_RNA)
where:
Base-Base interactions energy: -738.813
where: short stacking energy: -295.322
Base-Backbone interact. energy: -1.265
local terms energy: -333.690713
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -75.959
flat angles C4'-P-C4' energy: -74.064
flat angles P-C4'-P energy: -51.182
tors. eta vs tors. theta energy: -81.255
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1206.706290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.706290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.306290 (E_RNA)
where:
Base-Base interactions energy: -680.074
where: short stacking energy: -268.683
Base-Backbone interact. energy: 0.732
local terms energy: -314.964662
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -66.409
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -67.713
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1197.505064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.505064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.505064 (E_RNA)
where:
Base-Base interactions energy: -690.332
where: short stacking energy: -271.339
Base-Backbone interact. energy: -0.725
local terms energy: -299.448445
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -71.309
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -65.507
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1128.992647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.992647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.192647 (E_RNA)
where:
Base-Base interactions energy: -636.021
where: short stacking energy: -251.118
Base-Backbone interact. energy: -1.759
local terms energy: -291.412754
where:
bonds (distance) C4'-P energy: -68.777
bonds (distance) P-C4' energy: -62.645
flat angles C4'-P-C4' energy: -66.038
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -65.424
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1045.872049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.872049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.272049 (E_RNA)
where:
Base-Base interactions energy: -599.378
where: short stacking energy: -243.634
Base-Backbone interact. energy: 2.257
local terms energy: -265.150328
where:
bonds (distance) C4'-P energy: -54.102
bonds (distance) P-C4' energy: -51.347
flat angles C4'-P-C4' energy: -77.477
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -48.109
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1049.551307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.551307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.951307 (E_RNA)
where:
Base-Base interactions energy: -589.203
where: short stacking energy: -237.953
Base-Backbone interact. energy: -0.008
local terms energy: -276.739862
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -62.061
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1455.280209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.280209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.280209 (E_RNA)
where:
Base-Base interactions energy: -873.424
where: short stacking energy: -324.637
Base-Backbone interact. energy: -2.800
local terms energy: -363.055618
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -77.924
flat angles C4'-P-C4' energy: -82.033
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -88.569
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1391.121639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.121639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.721639 (E_RNA)
where:
Base-Base interactions energy: -827.627
where: short stacking energy: -340.229
Base-Backbone interact. energy: -1.259
local terms energy: -358.836198
where:
bonds (distance) C4'-P energy: -71.830
bonds (distance) P-C4' energy: -71.771
flat angles C4'-P-C4' energy: -79.470
flat angles P-C4'-P energy: -51.050
tors. eta vs tors. theta energy: -84.716
Dist. restrs. and SS energy: -203.400 (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: 443
Temperature: 1.000000
Total energy: -1412.350174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.350174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.750174 (E_RNA)
where:
Base-Base interactions energy: -851.589
where: short stacking energy: -350.602
Base-Backbone interact. energy: 0.838
local terms energy: -359.999588
where:
bonds (distance) C4'-P energy: -56.830
bonds (distance) P-C4' energy: -69.760
flat angles C4'-P-C4' energy: -78.748
flat angles P-C4'-P energy: -55.513
tors. eta vs tors. theta energy: -99.149
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1365.627414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.627414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.627414 (E_RNA)
where:
Base-Base interactions energy: -797.330
where: short stacking energy: -326.102
Base-Backbone interact. energy: -2.235
local terms energy: -359.062330
where:
bonds (distance) C4'-P energy: -78.688
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -77.293
flat angles P-C4'-P energy: -53.453
tors. eta vs tors. theta energy: -88.269
Dist. restrs. and SS energy: -207.000 (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: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1289.454904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.454904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.054904 (E_RNA)
where:
Base-Base interactions energy: -741.392
where: short stacking energy: -294.248
Base-Backbone interact. energy: -0.827
local terms energy: -334.835990
where:
bonds (distance) C4'-P energy: -48.821
bonds (distance) P-C4' energy: -75.593
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -53.288
tors. eta vs tors. theta energy: -85.224
Dist. restrs. and SS energy: -212.400 (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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1197.148633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.148633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.948633 (E_RNA)
where:
Base-Base interactions energy: -677.280
where: short stacking energy: -276.558
Base-Backbone interact. energy: -2.496
local terms energy: -312.172580
where:
bonds (distance) C4'-P energy: -62.428
bonds (distance) P-C4' energy: -64.605
flat angles C4'-P-C4' energy: -73.246
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -58.677
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1203.350930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.350930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.550930 (E_RNA)
where:
Base-Base interactions energy: -696.714
where: short stacking energy: -264.124
Base-Backbone interact. energy: -1.169
local terms energy: -305.667854
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -57.378
flat angles C4'-P-C4' energy: -70.270
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -70.764
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1077.955468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.955468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.555468 (E_RNA)
where:
Base-Base interactions energy: -618.127
where: short stacking energy: -262.370
Base-Backbone interact. energy: -0.152
local terms energy: -274.276910
where:
bonds (distance) C4'-P energy: -58.671
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -64.034
flat angles P-C4'-P energy: -47.061
tors. eta vs tors. theta energy: -55.356
Dist. restrs. and SS energy: -185.400 (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: 443
Temperature: 1.300000
Total energy: -1096.158561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.158561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.758561 (E_RNA)
where:
Base-Base interactions energy: -630.152
where: short stacking energy: -247.456
Base-Backbone interact. energy: -1.304
local terms energy: -270.301968
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -69.912
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -63.151
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1006.445511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.445511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.845511 (E_RNA)
where:
Base-Base interactions energy: -577.967
where: short stacking energy: -231.420
Base-Backbone interact. energy: -0.526
local terms energy: -244.352694
where:
bonds (distance) C4'-P energy: -61.725
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -53.908
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1464.898470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.898470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.898470 (E_RNA)
where:
Base-Base interactions energy: -859.268
where: short stacking energy: -335.428
Base-Backbone interact. energy: -2.983
local terms energy: -386.647000
where:
bonds (distance) C4'-P energy: -78.912
bonds (distance) P-C4' energy: -81.226
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1398.303678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.303678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.303678 (E_RNA)
where:
Base-Base interactions energy: -844.181
where: short stacking energy: -336.835
Base-Backbone interact. energy: -1.336
local terms energy: -345.786904
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -75.810
flat angles P-C4'-P energy: -55.934
tors. eta vs tors. theta energy: -83.850
Dist. restrs. and SS energy: -207.000 (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: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1381.726800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.726800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.126800 (E_RNA)
where:
Base-Base interactions energy: -810.660
where: short stacking energy: -345.203
Base-Backbone interact. energy: -3.069
local terms energy: -366.397057
where:
bonds (distance) C4'-P energy: -69.067
bonds (distance) P-C4' energy: -68.039
flat angles C4'-P-C4' energy: -86.454
flat angles P-C4'-P energy: -51.400
tors. eta vs tors. theta energy: -91.437
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1380.213045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.213045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.413045 (E_RNA)
where:
Base-Base interactions energy: -805.807
where: short stacking energy: -321.454
Base-Backbone interact. energy: -2.497
local terms energy: -363.108819
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -69.978
flat angles C4'-P-C4' energy: -83.457
flat angles P-C4'-P energy: -55.353
tors. eta vs tors. theta energy: -99.718
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1241.142297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.142297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.542297 (E_RNA)
where:
Base-Base interactions energy: -709.046
where: short stacking energy: -290.222
Base-Backbone interact. energy: -1.200
local terms energy: -320.295956
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -63.370
Dist. restrs. and SS energy: -210.600 (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: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1260.935371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.935371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.735371 (E_RNA)
where:
Base-Base interactions energy: -724.561
where: short stacking energy: -288.164
Base-Backbone interact. energy: -0.625
local terms energy: -330.549286
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -63.175
flat angles C4'-P-C4' energy: -75.973
flat angles P-C4'-P energy: -54.973
tors. eta vs tors. theta energy: -78.264
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1232.963709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.963709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.363709 (E_RNA)
where:
Base-Base interactions energy: -710.728
where: short stacking energy: -282.318
Base-Backbone interact. energy: -2.453
local terms energy: -318.182689
where:
bonds (distance) C4'-P energy: -73.078
bonds (distance) P-C4' energy: -59.241
flat angles C4'-P-C4' energy: -67.939
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -77.461
Dist. restrs. and SS energy: -201.600 (S_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: 444
Temperature: 1.250000
Total energy: -1065.254155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.254155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.254155 (E_RNA)
where:
Base-Base interactions energy: -612.053
where: short stacking energy: -244.111
Base-Backbone interact. energy: 0.070
local terms energy: -273.270607
where:
bonds (distance) C4'-P energy: -54.896
bonds (distance) P-C4' energy: -63.651
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -40.112
tors. eta vs tors. theta energy: -62.645
Dist. restrs. and SS energy: -180.000 (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: 444
Temperature: 1.300000
Total energy: -1094.486167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.486167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.686167 (E_RNA)
where:
Base-Base interactions energy: -653.754
where: short stacking energy: -269.191
Base-Backbone interact. energy: -0.158
local terms energy: -240.774191
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -54.306
flat angles C4'-P-C4' energy: -59.577
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -56.626
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1005.064201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.064201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.064201 (E_RNA)
where:
Base-Base interactions energy: -579.052
where: short stacking energy: -247.540
Base-Backbone interact. energy: -1.798
local terms energy: -244.214259
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -67.783
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -25.058
tors. eta vs tors. theta energy: -51.597
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1455.055711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.055711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.655711 (E_RNA)
where:
Base-Base interactions energy: -855.855
where: short stacking energy: -331.860
Base-Backbone interact. energy: -1.713
local terms energy: -385.087566
where:
bonds (distance) C4'-P energy: -80.017
bonds (distance) P-C4' energy: -71.944
flat angles C4'-P-C4' energy: -84.419
flat angles P-C4'-P energy: -55.918
tors. eta vs tors. theta energy: -92.790
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1409.259824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.259824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.059824 (E_RNA)
where:
Base-Base interactions energy: -821.746
where: short stacking energy: -339.835
Base-Backbone interact. energy: -2.155
local terms energy: -380.158592
where:
bonds (distance) C4'-P energy: -73.206
bonds (distance) P-C4' energy: -74.295
flat angles C4'-P-C4' energy: -82.961
flat angles P-C4'-P energy: -57.507
tors. eta vs tors. theta energy: -92.190
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1394.388649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.388649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.988649 (E_RNA)
where:
Base-Base interactions energy: -831.862
where: short stacking energy: -347.276
Base-Backbone interact. energy: -2.348
local terms energy: -356.778473
where:
bonds (distance) C4'-P energy: -67.239
bonds (distance) P-C4' energy: -67.136
flat angles C4'-P-C4' energy: -85.330
flat angles P-C4'-P energy: -51.769
tors. eta vs tors. theta energy: -85.304
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1353.336648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.336648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.536648 (E_RNA)
where:
Base-Base interactions energy: -788.161
where: short stacking energy: -321.530
Base-Backbone interact. energy: -0.188
local terms energy: -356.187675
where:
bonds (distance) C4'-P energy: -63.338
bonds (distance) P-C4' energy: -65.721
flat angles C4'-P-C4' energy: -81.789
flat angles P-C4'-P energy: -54.480
tors. eta vs tors. theta energy: -90.858
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1241.955931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.955931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.555931 (E_RNA)
where:
Base-Base interactions energy: -713.394
where: short stacking energy: -281.267
Base-Backbone interact. energy: 0.854
local terms energy: -317.015668
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -63.820
flat angles C4'-P-C4' energy: -79.091
flat angles P-C4'-P energy: -53.081
tors. eta vs tors. theta energy: -65.062
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1284.495639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.495639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.295639 (E_RNA)
where:
Base-Base interactions energy: -734.142
where: short stacking energy: -299.772
Base-Backbone interact. energy: -1.583
local terms energy: -334.570589
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -70.180
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: -75.496
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1218.067593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.067593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.867593 (E_RNA)
where:
Base-Base interactions energy: -706.334
where: short stacking energy: -281.309
Base-Backbone interact. energy: -0.019
local terms energy: -306.514504
where:
bonds (distance) C4'-P energy: -55.896
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -77.031
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -65.877
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1132.998160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.998160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.598160 (E_RNA)
where:
Base-Base interactions energy: -632.637
where: short stacking energy: -255.581
Base-Backbone interact. energy: -4.475
local terms energy: -301.486400
where:
bonds (distance) C4'-P energy: -54.721
bonds (distance) P-C4' energy: -71.356
flat angles C4'-P-C4' energy: -68.664
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -60.791
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1030.974744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.974744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.774744 (E_RNA)
where:
Base-Base interactions energy: -589.980
where: short stacking energy: -231.179
Base-Backbone interact. energy: 0.149
local terms energy: -253.943584
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -25.419
tors. eta vs tors. theta energy: -48.879
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -998.964574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.964574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.564574 (E_RNA)
where:
Base-Base interactions energy: -557.162
where: short stacking energy: -233.502
Base-Backbone interact. energy: -0.422
local terms energy: -264.980355
where:
bonds (distance) C4'-P energy: -57.639
bonds (distance) P-C4' energy: -51.976
flat angles C4'-P-C4' energy: -61.547
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1459.877798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.877798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.077798 (E_RNA)
where:
Base-Base interactions energy: -873.818
where: short stacking energy: -334.296
Base-Backbone interact. energy: -3.092
local terms energy: -365.167511
where:
bonds (distance) C4'-P energy: -65.082
bonds (distance) P-C4' energy: -76.967
flat angles C4'-P-C4' energy: -80.004
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -91.458
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1407.490030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.090030 (E_RNA)
where:
Base-Base interactions energy: -835.409
where: short stacking energy: -328.661
Base-Backbone interact. energy: -3.332
local terms energy: -356.349370
where:
bonds (distance) C4'-P energy: -66.185
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -81.388
flat angles P-C4'-P energy: -62.189
tors. eta vs tors. theta energy: -86.668
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1389.716677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.716677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.716677 (E_RNA)
where:
Base-Base interactions energy: -831.218
where: short stacking energy: -330.542
Base-Backbone interact. energy: -2.259
local terms energy: -349.239068
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -73.869
flat angles C4'-P-C4' energy: -78.705
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -94.194
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1341.828684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.828684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.028684 (E_RNA)
where:
Base-Base interactions energy: -798.218
where: short stacking energy: -312.821
Base-Backbone interact. energy: -1.375
local terms energy: -333.435569
where:
bonds (distance) C4'-P energy: -67.116
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -81.689
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1295.600491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.600491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.800491 (E_RNA)
where:
Base-Base interactions energy: -747.788
where: short stacking energy: -319.386
Base-Backbone interact. energy: 1.557
local terms energy: -340.569664
where:
bonds (distance) C4'-P energy: -65.896
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -86.874
Dist. restrs. and SS energy: -208.800 (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: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1211.013011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.013011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.013011 (E_RNA)
where:
Base-Base interactions energy: -693.821
where: short stacking energy: -253.735
Base-Backbone interact. energy: -2.753
local terms energy: -298.438719
where:
bonds (distance) C4'-P energy: -63.421
bonds (distance) P-C4' energy: -58.986
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -60.494
Dist. restrs. and SS energy: -216.000 (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: 446
Temperature: 1.200000
Total energy: -1182.415004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.415004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.215004 (E_RNA)
where:
Base-Base interactions energy: -678.942
where: short stacking energy: -261.834
Base-Backbone interact. energy: -1.972
local terms energy: -305.301704
where:
bonds (distance) C4'-P energy: -64.023
bonds (distance) P-C4' energy: -70.857
flat angles C4'-P-C4' energy: -69.397
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -72.166
Dist. restrs. and SS energy: -196.200 (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: 446
Temperature: 1.250000
Total energy: -1165.923190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.923190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.523190 (E_RNA)
where:
Base-Base interactions energy: -673.173
where: short stacking energy: -264.503
Base-Backbone interact. energy: -0.587
local terms energy: -297.763180
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -72.352
flat angles C4'-P-C4' energy: -72.858
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -63.642
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -999.227347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.227347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.827347 (E_RNA)
where:
Base-Base interactions energy: -565.586
where: short stacking energy: -230.951
Base-Backbone interact. energy: 1.282
local terms energy: -258.523000
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -57.482
flat angles C4'-P-C4' energy: -61.066
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1011.008781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.008781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.208781 (E_RNA)
where:
Base-Base interactions energy: -570.985
where: short stacking energy: -226.677
Base-Backbone interact. energy: 3.125
local terms energy: -261.348938
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -56.910
flat angles C4'-P-C4' energy: -60.025
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1430.367909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.367909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.567909 (E_RNA)
where:
Base-Base interactions energy: -844.623
where: short stacking energy: -323.792
Base-Backbone interact. energy: 7.015
local terms energy: -374.959352
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -80.539
flat angles C4'-P-C4' energy: -74.647
flat angles P-C4'-P energy: -52.495
tors. eta vs tors. theta energy: -96.116
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1430.237372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.237372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.637372 (E_RNA)
where:
Base-Base interactions energy: -852.968
where: short stacking energy: -341.501
Base-Backbone interact. energy: -3.657
local terms energy: -363.011643
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -78.895
flat angles C4'-P-C4' energy: -76.549
flat angles P-C4'-P energy: -50.953
tors. eta vs tors. theta energy: -85.200
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1402.160702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.160702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.160702 (E_RNA)
where:
Base-Base interactions energy: -836.177
where: short stacking energy: -339.102
Base-Backbone interact. energy: 1.304
local terms energy: -360.287784
where:
bonds (distance) C4'-P energy: -58.608
bonds (distance) P-C4' energy: -75.704
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -54.002
tors. eta vs tors. theta energy: -93.951
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1369.501818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.501818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.701818 (E_RNA)
where:
Base-Base interactions energy: -816.877
where: short stacking energy: -337.067
Base-Backbone interact. energy: 2.063
local terms energy: -345.887160
where:
bonds (distance) C4'-P energy: -66.990
bonds (distance) P-C4' energy: -61.540
flat angles C4'-P-C4' energy: -68.909
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -92.664
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1294.371873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.371873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.771873 (E_RNA)
where:
Base-Base interactions energy: -737.888
where: short stacking energy: -302.994
Base-Backbone interact. energy: -3.178
local terms energy: -342.705464
where:
bonds (distance) C4'-P energy: -65.424
bonds (distance) P-C4' energy: -76.162
flat angles C4'-P-C4' energy: -73.513
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -84.822
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1200.755055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.755055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.355055 (E_RNA)
where:
Base-Base interactions energy: -691.715
where: short stacking energy: -274.701
Base-Backbone interact. energy: 0.582
local terms energy: -315.222310
where:
bonds (distance) C4'-P energy: -67.981
bonds (distance) P-C4' energy: -69.208
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -67.720
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1184.559883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.559883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.159883 (E_RNA)
where:
Base-Base interactions energy: -688.566
where: short stacking energy: -256.555
Base-Backbone interact. energy: 3.563
local terms energy: -287.157548
where:
bonds (distance) C4'-P energy: -60.924
bonds (distance) P-C4' energy: -62.926
flat angles C4'-P-C4' energy: -66.787
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: -212.400 (S_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: -1172.377383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.377383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.777383 (E_RNA)
where:
Base-Base interactions energy: -678.124
where: short stacking energy: -275.824
Base-Backbone interact. energy: -2.136
local terms energy: -290.517576
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -67.012
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -69.091
Dist. restrs. and SS energy: -201.600 (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: 447
Temperature: 1.300000
Total energy: -1030.818087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.818087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.418087 (E_RNA)
where:
Base-Base interactions energy: -561.493
where: short stacking energy: -231.436
Base-Backbone interact. energy: -2.555
local terms energy: -281.370368
where:
bonds (distance) C4'-P energy: -60.536
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -45.190
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1007.577304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.577304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.177304 (E_RNA)
where:
Base-Base interactions energy: -563.636
where: short stacking energy: -218.654
Base-Backbone interact. energy: -1.368
local terms energy: -257.172745
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -59.336
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1469.923337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.923337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.723337 (E_RNA)
where:
Base-Base interactions energy: -881.800
where: short stacking energy: -343.043
Base-Backbone interact. energy: -1.515
local terms energy: -372.408692
where:
bonds (distance) C4'-P energy: -73.060
bonds (distance) P-C4' energy: -67.088
flat angles C4'-P-C4' energy: -83.303
flat angles P-C4'-P energy: -60.792
tors. eta vs tors. theta energy: -88.165
Dist. restrs. and SS energy: -214.200 (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: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1410.930135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.930135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.530135 (E_RNA)
where:
Base-Base interactions energy: -836.847
where: short stacking energy: -330.961
Base-Backbone interact. energy: -2.613
local terms energy: -359.069784
where:
bonds (distance) C4'-P energy: -67.388
bonds (distance) P-C4' energy: -75.725
flat angles C4'-P-C4' energy: -81.203
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: -82.761
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1418.456687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.456687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.656687 (E_RNA)
where:
Base-Base interactions energy: -865.780
where: short stacking energy: -345.816
Base-Backbone interact. energy: 2.869
local terms energy: -346.745024
where:
bonds (distance) C4'-P energy: -72.234
bonds (distance) P-C4' energy: -63.190
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -94.285
Dist. restrs. and SS energy: -208.800 (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: 448
Temperature: 1.050000
Total energy: -1362.464240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.464240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.064240 (E_RNA)
where:
Base-Base interactions energy: -799.583
where: short stacking energy: -326.103
Base-Backbone interact. energy: -2.256
local terms energy: -357.224858
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -69.981
flat angles P-C4'-P energy: -53.349
tors. eta vs tors. theta energy: -90.301
Dist. restrs. and SS energy: -203.400 (S_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: 448
Temperature: 1.100000
Total energy: -1293.918525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.918525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.318525 (E_RNA)
where:
Base-Base interactions energy: -745.130
where: short stacking energy: -297.871
Base-Backbone interact. energy: -0.889
local terms energy: -337.299373
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -78.815
flat angles C4'-P-C4' energy: -68.967
flat angles P-C4'-P energy: -53.741
tors. eta vs tors. theta energy: -74.528
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1210.924666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.324666 (E_RNA)
where:
Base-Base interactions energy: -717.164
where: short stacking energy: -296.981
Base-Backbone interact. energy: 1.113
local terms energy: -302.273216
where:
bonds (distance) C4'-P energy: -62.204
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -60.998
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -69.302
Dist. restrs. and SS energy: -192.600 (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: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1173.945076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.945076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.145076 (E_RNA)
where:
Base-Base interactions energy: -703.573
where: short stacking energy: -274.408
Base-Backbone interact. energy: 3.107
local terms energy: -282.678999
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -65.738
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1171.666390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.666390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.866390 (E_RNA)
where:
Base-Base interactions energy: -667.698
where: short stacking energy: -267.462
Base-Backbone interact. energy: -0.795
local terms energy: -303.372991
where:
bonds (distance) C4'-P energy: -73.459
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -70.700
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -63.618
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1041.334215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.334215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.934215 (E_RNA)
where:
Base-Base interactions energy: -602.825
where: short stacking energy: -244.995
Base-Backbone interact. energy: 1.548
local terms energy: -254.656681
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -69.800
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -981.933071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.933071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.533071 (E_RNA)
where:
Base-Base interactions energy: -540.666
where: short stacking energy: -219.449
Base-Backbone interact. energy: -2.558
local terms energy: -253.308340
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -44.390
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1449.447952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.447952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.647952 (E_RNA)
where:
Base-Base interactions energy: -871.903
where: short stacking energy: -342.333
Base-Backbone interact. energy: -2.613
local terms energy: -357.131639
where:
bonds (distance) C4'-P energy: -73.418
bonds (distance) P-C4' energy: -75.419
flat angles C4'-P-C4' energy: -76.945
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -85.110
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1446.994138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.994138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.994138 (E_RNA)
where:
Base-Base interactions energy: -860.039
where: short stacking energy: -363.516
Base-Backbone interact. energy: -1.779
local terms energy: -378.176391
where:
bonds (distance) C4'-P energy: -74.722
bonds (distance) P-C4' energy: -70.527
flat angles C4'-P-C4' energy: -81.617
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -98.545
Dist. restrs. and SS energy: -207.000 (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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1405.123369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.123369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.723369 (E_RNA)
where:
Base-Base interactions energy: -838.057
where: short stacking energy: -345.908
Base-Backbone interact. energy: -0.332
local terms energy: -354.334037
where:
bonds (distance) C4'-P energy: -64.629
bonds (distance) P-C4' energy: -62.872
flat angles C4'-P-C4' energy: -80.955
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -95.980
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1364.970251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.970251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.570251 (E_RNA)
where:
Base-Base interactions energy: -798.676
where: short stacking energy: -338.548
Base-Backbone interact. energy: 0.080
local terms energy: -362.973728
where:
bonds (distance) C4'-P energy: -60.760
bonds (distance) P-C4' energy: -71.377
flat angles C4'-P-C4' energy: -82.061
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -97.282
Dist. restrs. and SS energy: -203.400 (S_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: 449
Temperature: 1.100000
Total energy: -1297.733654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.733654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.333654 (E_RNA)
where:
Base-Base interactions energy: -752.101
where: short stacking energy: -302.058
Base-Backbone interact. energy: -1.001
local terms energy: -332.231316
where:
bonds (distance) C4'-P energy: -64.482
bonds (distance) P-C4' energy: -61.237
flat angles C4'-P-C4' energy: -78.569
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1248.849470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.849470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.649470 (E_RNA)
where:
Base-Base interactions energy: -736.321
where: short stacking energy: -308.598
Base-Backbone interact. energy: -2.368
local terms energy: -313.960531
where:
bonds (distance) C4'-P energy: -63.016
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -79.514
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1176.232417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.232417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.232417 (E_RNA)
where:
Base-Base interactions energy: -705.679
where: short stacking energy: -258.163
Base-Backbone interact. energy: -3.525
local terms energy: -269.028396
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -51.856
flat angles C4'-P-C4' energy: -66.668
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -66.193
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1140.071797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.071797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.271797 (E_RNA)
where:
Base-Base interactions energy: -640.004
where: short stacking energy: -247.833
Base-Backbone interact. energy: 1.240
local terms energy: -292.507413
where:
bonds (distance) C4'-P energy: -61.744
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -66.720
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -60.919
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1059.042917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.042917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.642917 (E_RNA)
where:
Base-Base interactions energy: -592.166
where: short stacking energy: -257.384
Base-Backbone interact. energy: -2.462
local terms energy: -279.014627
where:
bonds (distance) C4'-P energy: -63.522
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -55.952
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -995.636499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.636499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.636499 (E_RNA)
where:
Base-Base interactions energy: -566.362
where: short stacking energy: -220.941
Base-Backbone interact. energy: -0.092
local terms energy: -249.181796
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1475.894193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.894193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.094193 (E_RNA)
where:
Base-Base interactions energy: -876.279
where: short stacking energy: -362.859
Base-Backbone interact. energy: -1.351
local terms energy: -389.464628
where:
bonds (distance) C4'-P energy: -73.243
bonds (distance) P-C4' energy: -78.320
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -101.541
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1429.447258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.447258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.047258 (E_RNA)
where:
Base-Base interactions energy: -861.017
where: short stacking energy: -324.882
Base-Backbone interact. energy: -1.978
local terms energy: -354.052462
where:
bonds (distance) C4'-P energy: -75.961
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -81.465
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -83.073
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1401.734553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.734553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.534553 (E_RNA)
where:
Base-Base interactions energy: -850.018
where: short stacking energy: -330.687
Base-Backbone interact. energy: -2.597
local terms energy: -343.919171
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -64.074
flat angles C4'-P-C4' energy: -78.975
flat angles P-C4'-P energy: -53.417
tors. eta vs tors. theta energy: -85.919
Dist. restrs. and SS energy: -205.200 (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: 450
Temperature: 1.050000
Total energy: -1358.857374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.857374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.057374 (E_RNA)
where:
Base-Base interactions energy: -823.679
where: short stacking energy: -322.475
Base-Backbone interact. energy: -2.999
local terms energy: -323.379043
where:
bonds (distance) C4'-P energy: -57.531
bonds (distance) P-C4' energy: -58.442
flat angles C4'-P-C4' energy: -70.366
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -90.130
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1266.093874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.093874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.293874 (E_RNA)
where:
Base-Base interactions energy: -762.666
where: short stacking energy: -313.142
Base-Backbone interact. energy: -1.034
local terms energy: -302.593358
where:
bonds (distance) C4'-P energy: -62.885
bonds (distance) P-C4' energy: -44.027
flat angles C4'-P-C4' energy: -75.928
flat angles P-C4'-P energy: -42.559
tors. eta vs tors. theta energy: -77.194
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1303.015105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.015105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.415105 (E_RNA)
where:
Base-Base interactions energy: -760.071
where: short stacking energy: -308.069
Base-Backbone interact. energy: 4.855
local terms energy: -337.199016
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -66.675
flat angles C4'-P-C4' energy: -76.746
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -89.494
Dist. restrs. and SS energy: -210.600 (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: 450
Temperature: 1.200000
Total energy: -1152.588452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.588452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.388452 (E_RNA)
where:
Base-Base interactions energy: -633.202
where: short stacking energy: -240.622
Base-Backbone interact. energy: -1.405
local terms energy: -303.781853
where:
bonds (distance) C4'-P energy: -67.152
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -66.877
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -48.695
Dist. restrs. and SS energy: -214.200 (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: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1161.852876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.852876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.652876 (E_RNA)
where:
Base-Base interactions energy: -678.057
where: short stacking energy: -266.139
Base-Backbone interact. energy: 0.697
local terms energy: -288.292302
where:
bonds (distance) C4'-P energy: -64.460
bonds (distance) P-C4' energy: -63.945
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -58.017
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1043.255708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.255708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.655708 (E_RNA)
where:
Base-Base interactions energy: -606.707
where: short stacking energy: -236.341
Base-Backbone interact. energy: 0.098
local terms energy: -253.046246
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -65.011
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -51.801
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -965.542041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.542041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.542041 (E_RNA)
where:
Base-Base interactions energy: -531.062
where: short stacking energy: -203.256
Base-Backbone interact. energy: -0.496
local terms energy: -253.984246
where:
bonds (distance) C4'-P energy: -67.013
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -38.551
Dist. restrs. and SS energy: -180.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1475.259636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.259636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.459636 (E_RNA)
where:
Base-Base interactions energy: -886.865
where: short stacking energy: -369.864
Base-Backbone interact. energy: -2.863
local terms energy: -376.731750
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -80.905
flat angles C4'-P-C4' energy: -81.029
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -110.021
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1413.568654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.568654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.768654 (E_RNA)
where:
Base-Base interactions energy: -827.177
where: short stacking energy: -341.380
Base-Backbone interact. energy: -2.098
local terms energy: -375.494477
where:
bonds (distance) C4'-P energy: -71.638
bonds (distance) P-C4' energy: -76.517
flat angles C4'-P-C4' energy: -79.476
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -93.313
Dist. restrs. and SS energy: -208.800 (S_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: 451
Temperature: 1.000000
Total energy: -1421.041983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.041983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.241983 (E_RNA)
where:
Base-Base interactions energy: -838.309
where: short stacking energy: -350.687
Base-Backbone interact. energy: -2.105
local terms energy: -362.828351
where:
bonds (distance) C4'-P energy: -72.886
bonds (distance) P-C4' energy: -54.931
flat angles C4'-P-C4' energy: -83.511
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -93.457
Dist. restrs. and SS energy: -217.800 (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: 451
Temperature: 1.050000
Total energy: -1343.687671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.687671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.487671 (E_RNA)
where:
Base-Base interactions energy: -787.373
where: short stacking energy: -340.368
Base-Backbone interact. energy: -1.757
local terms energy: -349.357459
where:
bonds (distance) C4'-P energy: -61.140
bonds (distance) P-C4' energy: -64.420
flat angles C4'-P-C4' energy: -69.380
flat angles P-C4'-P energy: -50.176
tors. eta vs tors. theta energy: -104.242
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1264.955717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.955717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.755717 (E_RNA)
where:
Base-Base interactions energy: -729.782
where: short stacking energy: -297.060
Base-Backbone interact. energy: 0.720
local terms energy: -339.694255
where:
bonds (distance) C4'-P energy: -67.956
bonds (distance) P-C4' energy: -66.814
flat angles C4'-P-C4' energy: -77.842
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -82.748
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1258.722177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.722177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.722177 (E_RNA)
where:
Base-Base interactions energy: -716.426
where: short stacking energy: -283.370
Base-Backbone interact. energy: 0.805
local terms energy: -327.101444
where:
bonds (distance) C4'-P energy: -63.909
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -71.768
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -73.686
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1189.967530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.967530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.367530 (E_RNA)
where:
Base-Base interactions energy: -662.137
where: short stacking energy: -250.388
Base-Backbone interact. energy: -4.291
local terms energy: -312.939206
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -69.653
flat angles C4'-P-C4' energy: -69.385
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. 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: -1183.842915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.842915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.042915 (E_RNA)
where:
Base-Base interactions energy: -709.157
where: short stacking energy: -277.419
Base-Backbone interact. energy: 4.143
local terms energy: -288.028647
where:
bonds (distance) C4'-P energy: -54.735
bonds (distance) P-C4' energy: -57.260
flat angles C4'-P-C4' energy: -78.581
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -63.424
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1059.033325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.033325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.233325 (E_RNA)
where:
Base-Base interactions energy: -593.957
where: short stacking energy: -227.802
Base-Backbone interact. energy: 0.742
local terms energy: -275.018993
where:
bonds (distance) C4'-P energy: -73.612
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -39.076
tors. eta vs tors. theta energy: -43.823
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -984.815175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.415175 (E_RNA)
where:
Base-Base interactions energy: -564.305
where: short stacking energy: -234.773
Base-Backbone interact. energy: 0.118
local terms energy: -244.228226
where:
bonds (distance) C4'-P energy: -45.888
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -40.475
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1472.768175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.768175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.768175 (E_RNA)
where:
Base-Base interactions energy: -871.297
where: short stacking energy: -366.477
Base-Backbone interact. energy: -1.710
local terms energy: -392.760290
where:
bonds (distance) C4'-P energy: -71.213
bonds (distance) P-C4' energy: -83.580
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -100.373
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1426.011529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.011529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.811529 (E_RNA)
where:
Base-Base interactions energy: -870.105
where: short stacking energy: -349.431
Base-Backbone interact. energy: -4.234
local terms energy: -346.471843
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -81.790
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -89.220
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1402.564698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.564698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.364698 (E_RNA)
where:
Base-Base interactions energy: -838.536
where: short stacking energy: -330.059
Base-Backbone interact. energy: -2.688
local terms energy: -347.141135
where:
bonds (distance) C4'-P energy: -61.887
bonds (distance) P-C4' energy: -69.193
flat angles C4'-P-C4' energy: -69.383
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -91.483
Dist. restrs. and SS energy: -214.200 (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: 452
Temperature: 1.050000
Total energy: -1341.127681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.127681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.727681 (E_RNA)
where:
Base-Base interactions energy: -780.813
where: short stacking energy: -320.748
Base-Backbone interact. energy: -0.010
local terms energy: -356.905006
where:
bonds (distance) C4'-P energy: -79.714
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -75.249
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: -93.923
Dist. restrs. and SS energy: -203.400 (S_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: 452
Temperature: 1.100000
Total energy: -1322.238844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.238844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.638844 (E_RNA)
where:
Base-Base interactions energy: -760.353
where: short stacking energy: -318.899
Base-Backbone interact. energy: -2.127
local terms energy: -340.158809
where:
bonds (distance) C4'-P energy: -62.277
bonds (distance) P-C4' energy: -67.670
flat angles C4'-P-C4' energy: -81.190
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -83.938
Dist. restrs. and SS energy: -219.600 (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: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1258.134942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.134942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.934942 (E_RNA)
where:
Base-Base interactions energy: -724.528
where: short stacking energy: -292.015
Base-Backbone interact. energy: -0.955
local terms energy: -336.451422
where:
bonds (distance) C4'-P energy: -72.882
bonds (distance) P-C4' energy: -66.105
flat angles C4'-P-C4' energy: -72.415
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -76.462
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1209.794817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.794817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.394817 (E_RNA)
where:
Base-Base interactions energy: -708.454
where: short stacking energy: -266.900
Base-Backbone interact. energy: -2.204
local terms energy: -295.737165
where:
bonds (distance) C4'-P energy: -64.194
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -61.760
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -61.088
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1175.011438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.011438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.611438 (E_RNA)
where:
Base-Base interactions energy: -649.047
where: short stacking energy: -268.943
Base-Backbone interact. energy: -0.544
local terms energy: -313.020716
where:
bonds (distance) C4'-P energy: -60.321
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -75.262
flat angles P-C4'-P energy: -43.995
tors. eta vs tors. theta energy: -67.116
Dist. restrs. and SS energy: -212.400 (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: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1041.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.118600 (E_RNA)
where:
Base-Base interactions energy: -602.286
where: short stacking energy: -221.671
Base-Backbone interact. energy: -2.178
local terms energy: -242.654468
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -48.827
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1009.065628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.065628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.465628 (E_RNA)
where:
Base-Base interactions energy: -553.802
where: short stacking energy: -220.817
Base-Backbone interact. energy: -1.353
local terms energy: -270.310017
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -58.310
flat angles C4'-P-C4' energy: -63.462
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1462.434295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.434295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.434295 (E_RNA)
where:
Base-Base interactions energy: -883.789
where: short stacking energy: -365.833
Base-Backbone interact. energy: -1.711
local terms energy: -369.933819
where:
bonds (distance) C4'-P energy: -74.500
bonds (distance) P-C4' energy: -65.880
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -53.881
tors. eta vs tors. theta energy: -98.788
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1420.275251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.275251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.475251 (E_RNA)
where:
Base-Base interactions energy: -854.253
where: short stacking energy: -328.890
Base-Backbone interact. energy: 0.296
local terms energy: -348.518771
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -67.786
flat angles C4'-P-C4' energy: -79.158
flat angles P-C4'-P energy: -56.528
tors. eta vs tors. theta energy: -90.957
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1395.382027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.382027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.582027 (E_RNA)
where:
Base-Base interactions energy: -841.627
where: short stacking energy: -325.320
Base-Backbone interact. energy: -0.979
local terms energy: -343.976077
where:
bonds (distance) C4'-P energy: -68.116
bonds (distance) P-C4' energy: -72.285
flat angles C4'-P-C4' energy: -77.491
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -83.144
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1351.362631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.362631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.562631 (E_RNA)
where:
Base-Base interactions energy: -793.370
where: short stacking energy: -342.023
Base-Backbone interact. energy: 1.119
local terms energy: -341.311474
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -78.220
flat angles P-C4'-P energy: -46.322
tors. eta vs tors. theta energy: -95.214
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1323.487628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.487628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.287628 (E_RNA)
where:
Base-Base interactions energy: -779.799
where: short stacking energy: -312.030
Base-Backbone interact. energy: -0.588
local terms energy: -337.900556
where:
bonds (distance) C4'-P energy: -63.420
bonds (distance) P-C4' energy: -60.834
flat angles C4'-P-C4' energy: -77.205
flat angles P-C4'-P energy: -51.213
tors. eta vs tors. theta energy: -85.228
Dist. restrs. and SS energy: -205.200 (S_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: 453
Temperature: 1.150000
Total energy: -1223.726026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.726026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.726026 (E_RNA)
where:
Base-Base interactions energy: -717.738
where: short stacking energy: -305.645
Base-Backbone interact. energy: -1.188
local terms energy: -306.800227
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -75.042
Dist. restrs. and SS energy: -198.000 (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: 453
Temperature: 1.200000
Total energy: -1231.681807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.681807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.681807 (E_RNA)
where:
Base-Base interactions energy: -754.305
where: short stacking energy: -274.563
Base-Backbone interact. energy: 2.781
local terms energy: -273.157242
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -61.081
flat angles C4'-P-C4' energy: -74.585
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -60.696
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1155.297086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.297086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.097086 (E_RNA)
where:
Base-Base interactions energy: -635.827
where: short stacking energy: -251.032
Base-Backbone interact. energy: 2.745
local terms energy: -317.014516
where:
bonds (distance) C4'-P energy: -59.572
bonds (distance) P-C4' energy: -82.047
flat angles C4'-P-C4' energy: -64.186
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -70.338
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1028.762323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.762323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.362323 (E_RNA)
where:
Base-Base interactions energy: -577.588
where: short stacking energy: -233.238
Base-Backbone interact. energy: 1.892
local terms energy: -267.666310
where:
bonds (distance) C4'-P energy: -55.170
bonds (distance) P-C4' energy: -61.329
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1002.321666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.321666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.721666 (E_RNA)
where:
Base-Base interactions energy: -576.085
where: short stacking energy: -220.161
Base-Backbone interact. energy: 0.272
local terms energy: -233.908881
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -57.299
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -44.170
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1481.792525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.792525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.992525 (E_RNA)
where:
Base-Base interactions energy: -896.190
where: short stacking energy: -377.064
Base-Backbone interact. energy: -1.285
local terms energy: -375.517316
where:
bonds (distance) C4'-P energy: -67.587
bonds (distance) P-C4' energy: -77.681
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -107.335
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1437.000290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.000290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.800290 (E_RNA)
where:
Base-Base interactions energy: -863.795
where: short stacking energy: -344.698
Base-Backbone interact. energy: -3.476
local terms energy: -355.529324
where:
bonds (distance) C4'-P energy: -69.339
bonds (distance) P-C4' energy: -68.580
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -91.542
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1384.399456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.399456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.399456 (E_RNA)
where:
Base-Base interactions energy: -831.338
where: short stacking energy: -309.569
Base-Backbone interact. energy: -3.715
local terms energy: -342.346643
where:
bonds (distance) C4'-P energy: -68.833
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -76.330
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -88.251
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1329.556019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.556019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.956019 (E_RNA)
where:
Base-Base interactions energy: -772.333
where: short stacking energy: -309.347
Base-Backbone interact. energy: 5.016
local terms energy: -351.638714
where:
bonds (distance) C4'-P energy: -74.004
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -72.141
flat angles P-C4'-P energy: -57.381
tors. eta vs tors. theta energy: -87.503
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1296.254535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.254535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.854535 (E_RNA)
where:
Base-Base interactions energy: -761.398
where: short stacking energy: -296.490
Base-Backbone interact. energy: 0.489
local terms energy: -331.945383
where:
bonds (distance) C4'-P energy: -57.855
bonds (distance) P-C4' energy: -63.707
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -58.843
tors. eta vs tors. theta energy: -79.762
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1217.960652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.960652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.760652 (E_RNA)
where:
Base-Base interactions energy: -697.422
where: short stacking energy: -291.769
Base-Backbone interact. energy: -1.281
local terms energy: -323.057280
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -73.742
flat angles C4'-P-C4' energy: -74.980
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -78.922
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1235.416532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.416532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.416532 (E_RNA)
where:
Base-Base interactions energy: -707.488
where: short stacking energy: -279.844
Base-Backbone interact. energy: -4.431
local terms energy: -325.497779
where:
bonds (distance) C4'-P energy: -66.019
bonds (distance) P-C4' energy: -78.144
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -44.008
tors. eta vs tors. theta energy: -75.783
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1137.419420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.419420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.819420 (E_RNA)
where:
Base-Base interactions energy: -692.834
where: short stacking energy: -261.326
Base-Backbone interact. energy: -2.103
local terms energy: -240.882809
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -55.170
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1021.361596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.361596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.161596 (E_RNA)
where:
Base-Base interactions energy: -593.853
where: short stacking energy: -232.175
Base-Backbone interact. energy: 0.645
local terms energy: -240.953685
where:
bonds (distance) C4'-P energy: -52.504
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -53.705
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -49.434
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1037.919931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.919931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.119931 (E_RNA)
where:
Base-Base interactions energy: -574.232
where: short stacking energy: -215.316
Base-Backbone interact. energy: 0.833
local terms energy: -264.720494
where:
bonds (distance) C4'-P energy: -64.366
bonds (distance) P-C4' energy: -65.155
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -38.128
tors. eta vs tors. theta energy: -41.543
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1449.685284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.685284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.885284 (E_RNA)
where:
Base-Base interactions energy: -880.959
where: short stacking energy: -360.959
Base-Backbone interact. energy: -2.247
local terms energy: -366.679775
where:
bonds (distance) C4'-P energy: -56.941
bonds (distance) P-C4' energy: -80.552
flat angles C4'-P-C4' energy: -83.997
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -102.524
Dist. restrs. and SS energy: -199.800 (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: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1400.251695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.251695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.051695 (E_RNA)
where:
Base-Base interactions energy: -832.346
where: short stacking energy: -333.978
Base-Backbone interact. energy: -0.075
local terms energy: -353.630579
where:
bonds (distance) C4'-P energy: -67.873
bonds (distance) P-C4' energy: -72.713
flat angles C4'-P-C4' energy: -83.884
flat angles P-C4'-P energy: -49.606
tors. eta vs tors. theta energy: -79.554
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1412.339933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.339933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.939933 (E_RNA)
where:
Base-Base interactions energy: -842.444
where: short stacking energy: -338.494
Base-Backbone interact. energy: -3.401
local terms energy: -363.095514
where:
bonds (distance) C4'-P energy: -77.622
bonds (distance) P-C4' energy: -72.357
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -45.469
tors. eta vs tors. theta energy: -92.699
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1322.467252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.467252 (E_RNA)
where:
Base-Base interactions energy: -775.729
where: short stacking energy: -308.600
Base-Backbone interact. energy: 1.857
local terms energy: -332.595470
where:
bonds (distance) C4'-P energy: -71.544
bonds (distance) P-C4' energy: -62.986
flat angles C4'-P-C4' energy: -71.266
flat angles P-C4'-P energy: -38.508
tors. eta vs tors. theta energy: -88.292
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1341.104312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.104312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.304312 (E_RNA)
where:
Base-Base interactions energy: -780.324
where: short stacking energy: -323.140
Base-Backbone interact. energy: 3.025
local terms energy: -355.006044
where:
bonds (distance) C4'-P energy: -71.199
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -78.940
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -85.345
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1242.330390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.330390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.730390 (E_RNA)
where:
Base-Base interactions energy: -726.718
where: short stacking energy: -265.447
Base-Backbone interact. energy: 1.852
local terms energy: -306.864653
where:
bonds (distance) C4'-P energy: -66.249
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -75.448
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -57.517
Dist. restrs. and SS energy: -210.600 (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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1224.385828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.385828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.785828 (E_RNA)
where:
Base-Base interactions energy: -691.983
where: short stacking energy: -290.417
Base-Backbone interact. energy: -0.811
local terms energy: -329.992353
where:
bonds (distance) C4'-P energy: -73.280
bonds (distance) P-C4' energy: -63.166
flat angles C4'-P-C4' energy: -74.676
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -80.908
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1139.987183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.987183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.987183 (E_RNA)
where:
Base-Base interactions energy: -632.622
where: short stacking energy: -241.749
Base-Backbone interact. energy: 0.818
local terms energy: -301.183696
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -69.922
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -53.908
tors. eta vs tors. theta energy: -54.801
Dist. restrs. and SS energy: -207.000 (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: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1050.858800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.858800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.658800 (E_RNA)
where:
Base-Base interactions energy: -603.534
where: short stacking energy: -253.410
Base-Backbone interact. energy: -0.477
local terms energy: -259.647537
where:
bonds (distance) C4'-P energy: -60.657
bonds (distance) P-C4' energy: -52.831
flat angles C4'-P-C4' energy: -57.612
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -50.009
Dist. restrs. and SS energy: -187.200 (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: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1053.637229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.637229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.437229 (E_RNA)
where:
Base-Base interactions energy: -612.979
where: short stacking energy: -238.812
Base-Backbone interact. energy: 0.120
local terms energy: -244.578338
where:
bonds (distance) C4'-P energy: -48.993
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -53.277
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1466.226283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.226283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.026283 (E_RNA)
where:
Base-Base interactions energy: -881.310
where: short stacking energy: -358.904
Base-Backbone interact. energy: -1.433
local terms energy: -378.283548
where:
bonds (distance) C4'-P energy: -76.365
bonds (distance) P-C4' energy: -77.969
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: -96.602
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1416.477689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.477689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.677689 (E_RNA)
where:
Base-Base interactions energy: -840.967
where: short stacking energy: -327.260
Base-Backbone interact. energy: -3.095
local terms energy: -354.616504
where:
bonds (distance) C4'-P energy: -68.052
bonds (distance) P-C4' energy: -72.288
flat angles C4'-P-C4' energy: -75.478
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -80.630
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1395.765739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.765739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.165739 (E_RNA)
where:
Base-Base interactions energy: -824.685
where: short stacking energy: -343.433
Base-Backbone interact. energy: -2.740
local terms energy: -357.741076
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -72.662
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -98.271
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1353.659692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.659692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.259692 (E_RNA)
where:
Base-Base interactions energy: -788.490
where: short stacking energy: -326.787
Base-Backbone interact. energy: 0.948
local terms energy: -353.717309
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -69.256
flat angles C4'-P-C4' energy: -63.724
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -97.242
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1328.143455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.143455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.943455 (E_RNA)
where:
Base-Base interactions energy: -762.164
where: short stacking energy: -305.180
Base-Backbone interact. energy: -1.994
local terms energy: -358.785528
where:
bonds (distance) C4'-P energy: -59.653
bonds (distance) P-C4' energy: -72.721
flat angles C4'-P-C4' energy: -80.900
flat angles P-C4'-P energy: -53.767
tors. eta vs tors. theta energy: -91.745
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1225.198723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.198723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.198723 (E_RNA)
where:
Base-Base interactions energy: -722.010
where: short stacking energy: -284.081
Base-Backbone interact. energy: -2.279
local terms energy: -302.909410
where:
bonds (distance) C4'-P energy: -60.426
bonds (distance) P-C4' energy: -65.547
flat angles C4'-P-C4' energy: -64.530
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -71.052
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1194.172189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.172189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.772189 (E_RNA)
where:
Base-Base interactions energy: -693.065
where: short stacking energy: -273.354
Base-Backbone interact. energy: -1.572
local terms energy: -305.135834
where:
bonds (distance) C4'-P energy: -63.731
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -68.945
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1155.617131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.617131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.617131 (E_RNA)
where:
Base-Base interactions energy: -660.103
where: short stacking energy: -252.162
Base-Backbone interact. energy: -0.038
local terms energy: -288.476365
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -42.882
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -42.007
tors. eta vs tors. theta energy: -70.063
Dist. restrs. and SS energy: -207.000 (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: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1105.988090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.988090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.588090 (E_RNA)
where:
Base-Base interactions energy: -617.703
where: short stacking energy: -252.284
Base-Backbone interact. energy: -0.180
local terms energy: -293.704694
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -56.439
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -64.574
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1034.253399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.253399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.853399 (E_RNA)
where:
Base-Base interactions energy: -578.072
where: short stacking energy: -234.221
Base-Backbone interact. energy: -1.892
local terms energy: -268.889607
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -69.918
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -49.323
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1461.962698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.962698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.762698 (E_RNA)
where:
Base-Base interactions energy: -884.167
where: short stacking energy: -353.761
Base-Backbone interact. energy: -1.693
local terms energy: -370.902284
where:
bonds (distance) C4'-P energy: -77.681
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -69.308
flat angles P-C4'-P energy: -55.850
tors. eta vs tors. theta energy: -96.076
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1442.492580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.492580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.492580 (E_RNA)
where:
Base-Base interactions energy: -855.056
where: short stacking energy: -338.340
Base-Backbone interact. energy: -0.467
local terms energy: -370.969902
where:
bonds (distance) C4'-P energy: -67.491
bonds (distance) P-C4' energy: -75.554
flat angles C4'-P-C4' energy: -82.412
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -90.701
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1368.317229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.317229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.317229 (E_RNA)
where:
Base-Base interactions energy: -818.875
where: short stacking energy: -333.700
Base-Backbone interact. energy: -0.848
local terms energy: -341.594011
where:
bonds (distance) C4'-P energy: -68.600
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -82.242
flat angles P-C4'-P energy: -47.666
tors. eta vs tors. theta energy: -77.585
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1343.117942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.117942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.917942 (E_RNA)
where:
Base-Base interactions energy: -774.546
where: short stacking energy: -306.789
Base-Backbone interact. energy: -1.982
local terms energy: -361.389437
where:
bonds (distance) C4'-P energy: -73.324
bonds (distance) P-C4' energy: -67.591
flat angles C4'-P-C4' energy: -75.021
flat angles P-C4'-P energy: -54.968
tors. eta vs tors. theta energy: -90.485
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1317.529875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.529875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.929875 (E_RNA)
where:
Base-Base interactions energy: -761.562
where: short stacking energy: -316.372
Base-Backbone interact. energy: 2.727
local terms energy: -348.095251
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -82.596
flat angles P-C4'-P energy: -51.205
tors. eta vs tors. theta energy: -90.209
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1241.026926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.226926 (E_RNA)
where:
Base-Base interactions energy: -714.011
where: short stacking energy: -290.438
Base-Backbone interact. energy: -0.491
local terms energy: -326.724920
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -71.595
flat angles C4'-P-C4' energy: -82.357
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: -73.474
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1181.418483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.418483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.818483 (E_RNA)
where:
Base-Base interactions energy: -684.484
where: short stacking energy: -267.025
Base-Backbone interact. energy: 1.619
local terms energy: -305.953310
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -67.836
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -61.017
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1140.689964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.689964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.289964 (E_RNA)
where:
Base-Base interactions energy: -650.309
where: short stacking energy: -254.499
Base-Backbone interact. energy: 1.272
local terms energy: -279.253016
where:
bonds (distance) C4'-P energy: -69.756
bonds (distance) P-C4' energy: -57.731
flat angles C4'-P-C4' energy: -55.690
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -61.426
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1094.800291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.800291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.200291 (E_RNA)
where:
Base-Base interactions energy: -616.806
where: short stacking energy: -242.587
Base-Backbone interact. energy: -1.366
local terms energy: -275.028486
where:
bonds (distance) C4'-P energy: -60.201
bonds (distance) P-C4' energy: -67.947
flat angles C4'-P-C4' energy: -54.413
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -47.612
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1042.521354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.521354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.321354 (E_RNA)
where:
Base-Base interactions energy: -610.073
where: short stacking energy: -242.049
Base-Backbone interact. energy: 0.981
local terms energy: -255.229377
where:
bonds (distance) C4'-P energy: -64.479
bonds (distance) P-C4' energy: -48.052
flat angles C4'-P-C4' energy: -54.974
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -58.462
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1452.245989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.245989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.645989 (E_RNA)
where:
Base-Base interactions energy: -870.719
where: short stacking energy: -353.849
Base-Backbone interact. energy: -1.972
local terms energy: -377.954986
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -77.676
flat angles C4'-P-C4' energy: -81.174
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -98.151
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1436.521302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.521302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.121302 (E_RNA)
where:
Base-Base interactions energy: -861.944
where: short stacking energy: -320.271
Base-Backbone interact. energy: -0.144
local terms energy: -362.033200
where:
bonds (distance) C4'-P energy: -74.409
bonds (distance) P-C4' energy: -81.899
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -52.906
tors. eta vs tors. theta energy: -86.046
Dist. restrs. and SS energy: -212.400 (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: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1375.002464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.002464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.002464 (E_RNA)
where:
Base-Base interactions energy: -805.849
where: short stacking energy: -321.942
Base-Backbone interact. energy: 0.265
local terms energy: -362.418772
where:
bonds (distance) C4'-P energy: -69.139
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1345.169303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.169303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.769303 (E_RNA)
where:
Base-Base interactions energy: -794.210
where: short stacking energy: -323.289
Base-Backbone interact. energy: -0.863
local terms energy: -346.697076
where:
bonds (distance) C4'-P energy: -70.331
bonds (distance) P-C4' energy: -71.708
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -51.243
tors. eta vs tors. theta energy: -86.308
Dist. restrs. and SS energy: -203.400 (S_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: 458
Temperature: 1.100000
Total energy: -1320.901371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.901371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.901371 (E_RNA)
where:
Base-Base interactions energy: -786.718
where: short stacking energy: -315.512
Base-Backbone interact. energy: 5.325
local terms energy: -323.509030
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -56.758
flat angles C4'-P-C4' energy: -68.368
flat angles P-C4'-P energy: -49.862
tors. eta vs tors. theta energy: -85.895
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1231.643288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.643288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.243288 (E_RNA)
where:
Base-Base interactions energy: -723.978
where: short stacking energy: -273.597
Base-Backbone interact. energy: -3.305
local terms energy: -309.960758
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -73.445
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -72.515
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1156.617620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.617620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.017620 (E_RNA)
where:
Base-Base interactions energy: -674.928
where: short stacking energy: -259.479
Base-Backbone interact. energy: -2.502
local terms energy: -286.587622
where:
bonds (distance) C4'-P energy: -54.740
bonds (distance) P-C4' energy: -56.509
flat angles C4'-P-C4' energy: -74.153
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -65.917
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1121.678755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.678755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.278755 (E_RNA)
where:
Base-Base interactions energy: -647.797
where: short stacking energy: -233.484
Base-Backbone interact. energy: -3.070
local terms energy: -258.412375
where:
bonds (distance) C4'-P energy: -60.536
bonds (distance) P-C4' energy: -59.031
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -48.526
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1111.281683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.281683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.681683 (E_RNA)
where:
Base-Base interactions energy: -642.573
where: short stacking energy: -253.367
Base-Backbone interact. energy: -0.154
local terms energy: -275.954907
where:
bonds (distance) C4'-P energy: -59.841
bonds (distance) P-C4' energy: -55.109
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -67.480
Dist. restrs. and SS energy: -192.600 (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: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -987.555584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.555584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.755584 (E_RNA)
where:
Base-Base interactions energy: -557.329
where: short stacking energy: -209.671
Base-Backbone interact. energy: -0.393
local terms energy: -248.033524
where:
bonds (distance) C4'-P energy: -50.220
bonds (distance) P-C4' energy: -64.756
flat angles C4'-P-C4' energy: -52.342
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -50.696
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1470.773757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.773757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.573757 (E_RNA)
where:
Base-Base interactions energy: -887.345
where: short stacking energy: -367.601
Base-Backbone interact. energy: -0.613
local terms energy: -377.615251
where:
bonds (distance) C4'-P energy: -68.622
bonds (distance) P-C4' energy: -73.324
flat angles C4'-P-C4' energy: -80.086
flat angles P-C4'-P energy: -51.517
tors. eta vs tors. theta energy: -104.067
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1442.876130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.876130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.876130 (E_RNA)
where:
Base-Base interactions energy: -872.201
where: short stacking energy: -339.281
Base-Backbone interact. energy: -2.084
local terms energy: -352.590855
where:
bonds (distance) C4'-P energy: -71.763
bonds (distance) P-C4' energy: -73.817
flat angles C4'-P-C4' energy: -74.807
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -79.876
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1387.911405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.911405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.911405 (E_RNA)
where:
Base-Base interactions energy: -822.440
where: short stacking energy: -317.278
Base-Backbone interact. energy: -1.317
local terms energy: -357.153958
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -68.443
flat angles C4'-P-C4' energy: -78.070
flat angles P-C4'-P energy: -56.073
tors. eta vs tors. theta energy: -82.501
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1334.628343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.628343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.428343 (E_RNA)
where:
Base-Base interactions energy: -785.580
where: short stacking energy: -330.291
Base-Backbone interact. energy: -0.681
local terms energy: -343.166955
where:
bonds (distance) C4'-P energy: -65.628
bonds (distance) P-C4' energy: -64.645
flat angles C4'-P-C4' energy: -82.815
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -91.200
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1301.939960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.939960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.139960 (E_RNA)
where:
Base-Base interactions energy: -760.558
where: short stacking energy: -318.655
Base-Backbone interact. energy: -2.168
local terms energy: -330.413946
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -61.296
flat angles C4'-P-C4' energy: -76.085
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -87.686
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1249.477912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.477912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.277912 (E_RNA)
where:
Base-Base interactions energy: -745.559
where: short stacking energy: -292.402
Base-Backbone interact. energy: 4.577
local terms energy: -312.296424
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -75.036
flat angles C4'-P-C4' energy: -77.633
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -73.202
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1165.591838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.591838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.191838 (E_RNA)
where:
Base-Base interactions energy: -652.319
where: short stacking energy: -253.428
Base-Backbone interact. energy: -2.121
local terms energy: -307.751822
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -74.023
flat angles C4'-P-C4' energy: -78.218
flat angles P-C4'-P energy: -40.169
tors. eta vs tors. theta energy: -59.637
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1091.324857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.324857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.324857 (E_RNA)
where:
Base-Base interactions energy: -609.999
where: short stacking energy: -236.185
Base-Backbone interact. energy: 0.366
local terms energy: -283.691199
where:
bonds (distance) C4'-P energy: -60.498
bonds (distance) P-C4' energy: -63.303
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -58.369
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1130.991619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.991619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.591619 (E_RNA)
where:
Base-Base interactions energy: -647.282
where: short stacking energy: -256.032
Base-Backbone interact. energy: -2.617
local terms energy: -268.692204
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -46.977
flat angles C4'-P-C4' energy: -68.876
flat angles P-C4'-P energy: -38.708
tors. eta vs tors. theta energy: -61.384
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1003.879785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.879785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.279785 (E_RNA)
where:
Base-Base interactions energy: -587.322
where: short stacking energy: -228.281
Base-Backbone interact. energy: 2.587
local terms energy: -235.545286
where:
bonds (distance) C4'-P energy: -45.735
bonds (distance) P-C4' energy: -64.260
flat angles C4'-P-C4' energy: -55.171
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -38.510
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1441.999745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.999745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.799745 (E_RNA)
where:
Base-Base interactions energy: -856.361
where: short stacking energy: -348.751
Base-Backbone interact. energy: -2.543
local terms energy: -368.895518
where:
bonds (distance) C4'-P energy: -75.408
bonds (distance) P-C4' energy: -71.186
flat angles C4'-P-C4' energy: -84.326
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -85.066
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1458.503215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.503215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.103215 (E_RNA)
where:
Base-Base interactions energy: -880.389
where: short stacking energy: -348.494
Base-Backbone interact. energy: -3.404
local terms energy: -371.310142
where:
bonds (distance) C4'-P energy: -70.883
bonds (distance) P-C4' energy: -71.857
flat angles C4'-P-C4' energy: -82.091
flat angles P-C4'-P energy: -51.985
tors. eta vs tors. theta energy: -94.495
Dist. restrs. and SS energy: -203.400 (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: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1410.014010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.014010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.414010 (E_RNA)
where:
Base-Base interactions energy: -852.578
where: short stacking energy: -328.625
Base-Backbone interact. energy: 0.422
local terms energy: -347.258064
where:
bonds (distance) C4'-P energy: -51.466
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -79.191
flat angles P-C4'-P energy: -61.295
tors. eta vs tors. theta energy: -92.567
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1334.859035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.859035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.659035 (E_RNA)
where:
Base-Base interactions energy: -781.669
where: short stacking energy: -338.091
Base-Backbone interact. energy: -2.558
local terms energy: -345.432242
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -71.343
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -98.550
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1279.716727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.716727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.916727 (E_RNA)
where:
Base-Base interactions energy: -765.542
where: short stacking energy: -301.497
Base-Backbone interact. energy: -4.958
local terms energy: -309.416902
where:
bonds (distance) C4'-P energy: -54.685
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -68.294
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -78.789
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1284.905045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.905045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.705045 (E_RNA)
where:
Base-Base interactions energy: -726.528
where: short stacking energy: -283.052
Base-Backbone interact. energy: 0.313
local terms energy: -344.490248
where:
bonds (distance) C4'-P energy: -54.815
bonds (distance) P-C4' energy: -72.013
flat angles C4'-P-C4' energy: -80.344
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1153.418236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.418236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.418236 (E_RNA)
where:
Base-Base interactions energy: -675.162
where: short stacking energy: -252.769
Base-Backbone interact. energy: -2.434
local terms energy: -277.822359
where:
bonds (distance) C4'-P energy: -52.468
bonds (distance) P-C4' energy: -57.454
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -59.858
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1120.327049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.327049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.927049 (E_RNA)
where:
Base-Base interactions energy: -627.805
where: short stacking energy: -255.202
Base-Backbone interact. energy: -1.195
local terms energy: -296.927811
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -67.555
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -50.421
tors. eta vs tors. theta energy: -56.778
Dist. restrs. and SS energy: -194.400 (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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -999.121557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.121557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.721557 (E_RNA)
where:
Base-Base interactions energy: -559.086
where: short stacking energy: -222.715
Base-Backbone interact. energy: -0.835
local terms energy: -253.799833
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1096.420928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.420928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.620928 (E_RNA)
where:
Base-Base interactions energy: -621.414
where: short stacking energy: -251.463
Base-Backbone interact. energy: 1.515
local terms energy: -267.721435
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -51.555
flat angles C4'-P-C4' energy: -65.200
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -62.535
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1453.207817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.207817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.207817 (E_RNA)
where:
Base-Base interactions energy: -864.995
where: short stacking energy: -355.362
Base-Backbone interact. energy: -2.004
local terms energy: -370.208770
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -75.779
flat angles C4'-P-C4' energy: -83.506
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: -89.687
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1461.156403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.156403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.356403 (E_RNA)
where:
Base-Base interactions energy: -879.830
where: short stacking energy: -351.293
Base-Backbone interact. energy: -2.812
local terms energy: -369.714397
where:
bonds (distance) C4'-P energy: -60.711
bonds (distance) P-C4' energy: -67.015
flat angles C4'-P-C4' energy: -88.095
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -100.115
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1385.909306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.909306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.909306 (E_RNA)
where:
Base-Base interactions energy: -818.205
where: short stacking energy: -325.643
Base-Backbone interact. energy: 0.807
local terms energy: -352.511273
where:
bonds (distance) C4'-P energy: -68.849
bonds (distance) P-C4' energy: -73.133
flat angles C4'-P-C4' energy: -75.177
flat angles P-C4'-P energy: -47.277
tors. eta vs tors. theta energy: -88.076
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1357.575232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.575232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.975232 (E_RNA)
where:
Base-Base interactions energy: -789.363
where: short stacking energy: -329.169
Base-Backbone interact. energy: -1.080
local terms energy: -365.532209
where:
bonds (distance) C4'-P energy: -84.392
bonds (distance) P-C4' energy: -68.071
flat angles C4'-P-C4' energy: -71.865
flat angles P-C4'-P energy: -49.145
tors. eta vs tors. theta energy: -92.060
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1304.816953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.816953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.016953 (E_RNA)
where:
Base-Base interactions energy: -806.599
where: short stacking energy: -312.958
Base-Backbone interact. energy: -0.401
local terms energy: -307.016277
where:
bonds (distance) C4'-P energy: -53.369
bonds (distance) P-C4' energy: -65.299
flat angles C4'-P-C4' energy: -61.315
flat angles P-C4'-P energy: -43.228
tors. eta vs tors. theta energy: -83.805
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1302.792256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.792256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.592256 (E_RNA)
where:
Base-Base interactions energy: -766.413
where: short stacking energy: -312.966
Base-Backbone interact. energy: -1.854
local terms energy: -320.325132
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -78.394
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1171.949830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.349830 (E_RNA)
where:
Base-Base interactions energy: -668.686
where: short stacking energy: -274.538
Base-Backbone interact. energy: -1.420
local terms energy: -300.243192
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -44.719
tors. eta vs tors. theta energy: -67.221
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1108.977447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.977447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.977447 (E_RNA)
where:
Base-Base interactions energy: -643.135
where: short stacking energy: -256.963
Base-Backbone interact. energy: -0.644
local terms energy: -267.198213
where:
bonds (distance) C4'-P energy: -50.983
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -67.418
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1038.177604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.177604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.577604 (E_RNA)
where:
Base-Base interactions energy: -589.649
where: short stacking energy: -227.524
Base-Backbone interact. energy: -0.358
local terms energy: -264.570274
where:
bonds (distance) C4'-P energy: -51.359
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -47.666
Dist. restrs. and SS energy: -183.600 (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: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1076.161973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.161973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.761973 (E_RNA)
where:
Base-Base interactions energy: -616.609
where: short stacking energy: -234.211
Base-Backbone interact. energy: 0.842
local terms energy: -247.995227
where:
bonds (distance) C4'-P energy: -50.840
bonds (distance) P-C4' energy: -52.524
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1489.500915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.500915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.700915 (E_RNA)
where:
Base-Base interactions energy: -896.823
where: short stacking energy: -370.276
Base-Backbone interact. energy: -1.793
local terms energy: -382.084918
where:
bonds (distance) C4'-P energy: -63.678
bonds (distance) P-C4' energy: -77.712
flat angles C4'-P-C4' energy: -80.340
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -102.549
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1441.839844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.839844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.239844 (E_RNA)
where:
Base-Base interactions energy: -845.781
where: short stacking energy: -343.207
Base-Backbone interact. energy: -2.889
local terms energy: -382.569107
where:
bonds (distance) C4'-P energy: -70.019
bonds (distance) P-C4' energy: -80.048
flat angles C4'-P-C4' energy: -80.683
flat angles P-C4'-P energy: -52.720
tors. eta vs tors. theta energy: -99.099
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1372.328394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.328394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.328394 (E_RNA)
where:
Base-Base interactions energy: -805.102
where: short stacking energy: -339.317
Base-Backbone interact. energy: -2.111
local terms energy: -349.115349
where:
bonds (distance) C4'-P energy: -65.258
bonds (distance) P-C4' energy: -75.878
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -88.536
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1337.313731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.313731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.913731 (E_RNA)
where:
Base-Base interactions energy: -776.942
where: short stacking energy: -341.466
Base-Backbone interact. energy: -3.654
local terms energy: -353.317618
where:
bonds (distance) C4'-P energy: -77.537
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -80.927
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -92.368
Dist. restrs. and SS energy: -203.400 (S_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: 462
Temperature: 1.100000
Total energy: -1314.385525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.385525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.985525 (E_RNA)
where:
Base-Base interactions energy: -748.211
where: short stacking energy: -318.716
Base-Backbone interact. energy: -3.329
local terms energy: -350.445503
where:
bonds (distance) C4'-P energy: -63.846
bonds (distance) P-C4' energy: -70.307
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -52.435
tors. eta vs tors. theta energy: -84.623
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1258.817148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.817148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.617148 (E_RNA)
where:
Base-Base interactions energy: -751.240
where: short stacking energy: -289.016
Base-Backbone interact. energy: 2.012
local terms energy: -313.389097
where:
bonds (distance) C4'-P energy: -72.390
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -62.439
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1210.479893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.479893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.479893 (E_RNA)
where:
Base-Base interactions energy: -699.733
where: short stacking energy: -280.268
Base-Backbone interact. energy: 1.372
local terms energy: -314.119280
where:
bonds (distance) C4'-P energy: -59.526
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -71.044
flat angles P-C4'-P energy: -45.739
tors. eta vs tors. theta energy: -73.795
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1143.336504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.336504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.736504 (E_RNA)
where:
Base-Base interactions energy: -635.623
where: short stacking energy: -249.586
Base-Backbone interact. energy: -0.537
local terms energy: -305.576395
where:
bonds (distance) C4'-P energy: -65.262
bonds (distance) P-C4' energy: -64.533
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -71.046
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1088.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.611217 (E_RNA)
where:
Base-Base interactions energy: -635.067
where: short stacking energy: -248.080
Base-Backbone interact. energy: -2.355
local terms energy: -249.189673
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -69.714
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: -44.869
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -994.255758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.255758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.055758 (E_RNA)
where:
Base-Base interactions energy: -542.161
where: short stacking energy: -215.780
Base-Backbone interact. energy: -1.806
local terms energy: -263.089511
where:
bonds (distance) C4'-P energy: -53.508
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -52.177
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1474.261034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.261034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.661034 (E_RNA)
where:
Base-Base interactions energy: -869.964
where: short stacking energy: -359.564
Base-Backbone interact. energy: -3.249
local terms energy: -399.447850
where:
bonds (distance) C4'-P energy: -74.876
bonds (distance) P-C4' energy: -75.780
flat angles C4'-P-C4' energy: -80.859
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -104.088
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1425.777033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.777033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.777033 (E_RNA)
where:
Base-Base interactions energy: -856.587
where: short stacking energy: -335.719
Base-Backbone interact. energy: 1.575
local terms energy: -354.765059
where:
bonds (distance) C4'-P energy: -73.036
bonds (distance) P-C4' energy: -69.939
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -53.534
tors. eta vs tors. theta energy: -81.106
Dist. restrs. and SS energy: -216.000 (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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1375.420630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.420630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.020630 (E_RNA)
where:
Base-Base interactions energy: -812.494
where: short stacking energy: -325.531
Base-Backbone interact. energy: -0.667
local terms energy: -349.859124
where:
bonds (distance) C4'-P energy: -74.105
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -84.015
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -81.138
Dist. restrs. and SS energy: -212.400 (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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1337.015238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.015238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.215238 (E_RNA)
where:
Base-Base interactions energy: -790.682
where: short stacking energy: -314.936
Base-Backbone interact. energy: -0.075
local terms energy: -337.458057
where:
bonds (distance) C4'-P energy: -57.288
bonds (distance) P-C4' energy: -65.363
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -90.711
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1310.132729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.132729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.732729 (E_RNA)
where:
Base-Base interactions energy: -780.932
where: short stacking energy: -316.260
Base-Backbone interact. energy: -1.202
local terms energy: -324.598518
where:
bonds (distance) C4'-P energy: -59.280
bonds (distance) P-C4' energy: -56.347
flat angles C4'-P-C4' energy: -72.873
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -88.561
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1255.455120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.455120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.655120 (E_RNA)
where:
Base-Base interactions energy: -745.438
where: short stacking energy: -282.606
Base-Backbone interact. energy: 2.671
local terms energy: -312.888213
where:
bonds (distance) C4'-P energy: -73.679
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -66.046
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -61.970
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1194.636697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.636697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.636697 (E_RNA)
where:
Base-Base interactions energy: -681.863
where: short stacking energy: -262.963
Base-Backbone interact. energy: -1.988
local terms energy: -312.785420
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -80.177
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -66.329
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1129.375595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.375595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.575595 (E_RNA)
where:
Base-Base interactions energy: -651.648
where: short stacking energy: -256.554
Base-Backbone interact. energy: -2.336
local terms energy: -275.591906
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -71.478
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -52.407
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1084.958183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.958183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.958183 (E_RNA)
where:
Base-Base interactions energy: -599.305
where: short stacking energy: -249.642
Base-Backbone interact. energy: -2.037
local terms energy: -285.616176
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -66.977
flat angles C4'-P-C4' energy: -76.815
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -48.781
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -979.527062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.527062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.327062 (E_RNA)
where:
Base-Base interactions energy: -518.953
where: short stacking energy: -203.503
Base-Backbone interact. energy: -1.777
local terms energy: -280.596390
where:
bonds (distance) C4'-P energy: -71.711
bonds (distance) P-C4' energy: -68.015
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -49.499
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1473.898799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.898799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.498799 (E_RNA)
where:
Base-Base interactions energy: -888.222
where: short stacking energy: -359.802
Base-Backbone interact. energy: -1.901
local terms energy: -380.375530
where:
bonds (distance) C4'-P energy: -72.954
bonds (distance) P-C4' energy: -70.725
flat angles C4'-P-C4' energy: -87.928
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -96.099
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1435.665923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.665923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.665923 (E_RNA)
where:
Base-Base interactions energy: -850.555
where: short stacking energy: -344.592
Base-Backbone interact. energy: -0.241
local terms energy: -368.869221
where:
bonds (distance) C4'-P energy: -79.378
bonds (distance) P-C4' energy: -68.594
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -56.509
tors. eta vs tors. theta energy: -87.478
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1388.456477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.456477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.256477 (E_RNA)
where:
Base-Base interactions energy: -804.378
where: short stacking energy: -324.792
Base-Backbone interact. energy: -2.474
local terms energy: -367.404172
where:
bonds (distance) C4'-P energy: -71.712
bonds (distance) P-C4' energy: -70.353
flat angles C4'-P-C4' energy: -77.953
flat angles P-C4'-P energy: -61.885
tors. eta vs tors. theta energy: -85.500
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1342.894347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.894347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.894347 (E_RNA)
where:
Base-Base interactions energy: -794.041
where: short stacking energy: -315.011
Base-Backbone interact. energy: -1.233
local terms energy: -331.620217
where:
bonds (distance) C4'-P energy: -69.306
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -76.385
Dist. restrs. and SS energy: -216.000 (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: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1291.442594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.442594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.842594 (E_RNA)
where:
Base-Base interactions energy: -751.428
where: short stacking energy: -313.507
Base-Backbone interact. energy: 0.886
local terms energy: -339.300794
where:
bonds (distance) C4'-P energy: -69.621
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -50.520
tors. eta vs tors. theta energy: -93.615
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1239.765437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.765437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.565437 (E_RNA)
where:
Base-Base interactions energy: -725.854
where: short stacking energy: -278.409
Base-Backbone interact. energy: -1.507
local terms energy: -316.204412
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -84.331
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1162.870467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.870467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.670467 (E_RNA)
where:
Base-Base interactions energy: -663.029
where: short stacking energy: -267.321
Base-Backbone interact. energy: 2.845
local terms energy: -306.487104
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -67.925
flat angles C4'-P-C4' energy: -72.838
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -72.699
Dist. restrs. and SS energy: -196.200 (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: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1168.576374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.576374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.576374 (E_RNA)
where:
Base-Base interactions energy: -667.910
where: short stacking energy: -269.184
Base-Backbone interact. energy: 1.216
local terms energy: -294.882511
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -58.859
Dist. restrs. and SS energy: -207.000 (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: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1025.241505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.241505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.841505 (E_RNA)
where:
Base-Base interactions energy: -586.332
where: short stacking energy: -235.365
Base-Backbone interact. energy: 0.107
local terms energy: -262.616579
where:
bonds (distance) C4'-P energy: -54.561
bonds (distance) P-C4' energy: -59.344
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -41.670
tors. eta vs tors. theta energy: -47.032
Dist. restrs. and SS energy: -176.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1051.667561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.667561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.467561 (E_RNA)
where:
Base-Base interactions energy: -594.702
where: short stacking energy: -237.455
Base-Backbone interact. energy: 0.347
local terms energy: -261.112346
where:
bonds (distance) C4'-P energy: -48.988
bonds (distance) P-C4' energy: -60.910
flat angles C4'-P-C4' energy: -59.800
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -60.791
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1486.262074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.262074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.262074 (E_RNA)
where:
Base-Base interactions energy: -889.744
where: short stacking energy: -360.389
Base-Backbone interact. energy: -2.356
local terms energy: -387.162449
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -73.028
flat angles C4'-P-C4' energy: -78.238
flat angles P-C4'-P energy: -55.839
tors. eta vs tors. theta energy: -103.255
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1415.517079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.517079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.517079 (E_RNA)
where:
Base-Base interactions energy: -847.077
where: short stacking energy: -354.120
Base-Backbone interact. energy: -4.072
local terms energy: -357.368468
where:
bonds (distance) C4'-P energy: -68.730
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -82.973
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -97.070
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1409.074173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.074173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.874173 (E_RNA)
where:
Base-Base interactions energy: -820.590
where: short stacking energy: -316.444
Base-Backbone interact. energy: -3.920
local terms energy: -370.364363
where:
bonds (distance) C4'-P energy: -73.493
bonds (distance) P-C4' energy: -71.351
flat angles C4'-P-C4' energy: -83.059
flat angles P-C4'-P energy: -57.582
tors. eta vs tors. theta energy: -84.879
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1351.934841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.934841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.134841 (E_RNA)
where:
Base-Base interactions energy: -793.597
where: short stacking energy: -290.802
Base-Backbone interact. energy: -1.095
local terms energy: -339.443091
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -66.607
flat angles C4'-P-C4' energy: -78.435
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -78.935
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1328.564750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.564750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.964750 (E_RNA)
where:
Base-Base interactions energy: -809.222
where: short stacking energy: -327.286
Base-Backbone interact. energy: -2.892
local terms energy: -314.850891
where:
bonds (distance) C4'-P energy: -64.458
bonds (distance) P-C4' energy: -62.791
flat angles C4'-P-C4' energy: -63.739
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -83.575
Dist. restrs. and SS energy: -201.600 (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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1233.555493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.555493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.755493 (E_RNA)
where:
Base-Base interactions energy: -732.695
where: short stacking energy: -289.680
Base-Backbone interact. energy: -3.021
local terms energy: -298.039144
where:
bonds (distance) C4'-P energy: -58.093
bonds (distance) P-C4' energy: -58.094
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -79.417
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1212.511452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.511452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.711452 (E_RNA)
where:
Base-Base interactions energy: -702.041
where: short stacking energy: -287.516
Base-Backbone interact. energy: 1.731
local terms energy: -312.400988
where:
bonds (distance) C4'-P energy: -64.266
bonds (distance) P-C4' energy: -54.550
flat angles C4'-P-C4' energy: -72.848
flat angles P-C4'-P energy: -50.378
tors. eta vs tors. theta energy: -70.358
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1155.372597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.372597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.172597 (E_RNA)
where:
Base-Base interactions energy: -683.233
where: short stacking energy: -265.372
Base-Backbone interact. energy: 0.798
local terms energy: -267.737796
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -65.192
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1034.297028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.297028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.697028 (E_RNA)
where:
Base-Base interactions energy: -596.053
where: short stacking energy: -249.349
Base-Backbone interact. energy: 0.039
local terms energy: -245.683194
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -58.662
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -48.375
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1101.930318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.930318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.530318 (E_RNA)
where:
Base-Base interactions energy: -628.562
where: short stacking energy: -262.894
Base-Backbone interact. energy: -0.216
local terms energy: -278.752640
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -65.172
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -59.435
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1484.696728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.696728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.096728 (E_RNA)
where:
Base-Base interactions energy: -908.009
where: short stacking energy: -365.643
Base-Backbone interact. energy: -2.732
local terms energy: -372.355910
where:
bonds (distance) C4'-P energy: -71.289
bonds (distance) P-C4' energy: -68.868
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -60.212
tors. eta vs tors. theta energy: -99.370
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1412.047473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.647473 (E_RNA)
where:
Base-Base interactions energy: -837.222
where: short stacking energy: -368.904
Base-Backbone interact. energy: -2.199
local terms energy: -360.226847
where:
bonds (distance) C4'-P energy: -68.638
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -79.879
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: -105.319
Dist. restrs. and SS energy: -212.400 (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: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1411.729426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.729426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.529426 (E_RNA)
where:
Base-Base interactions energy: -841.539
where: short stacking energy: -328.966
Base-Backbone interact. energy: -1.998
local terms energy: -353.992345
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -71.175
flat angles C4'-P-C4' energy: -67.656
flat angles P-C4'-P energy: -57.991
tors. eta vs tors. theta energy: -85.801
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1341.135213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.135213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.535213 (E_RNA)
where:
Base-Base interactions energy: -794.755
where: short stacking energy: -305.049
Base-Backbone interact. energy: -2.062
local terms energy: -333.718020
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -76.520
flat angles C4'-P-C4' energy: -64.893
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -84.743
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1321.056461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.056461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.056461 (E_RNA)
where:
Base-Base interactions energy: -783.642
where: short stacking energy: -318.286
Base-Backbone interact. energy: -0.487
local terms energy: -329.927346
where:
bonds (distance) C4'-P energy: -57.694
bonds (distance) P-C4' energy: -78.464
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -87.819
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1271.003638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.003638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.403638 (E_RNA)
where:
Base-Base interactions energy: -770.574
where: short stacking energy: -288.722
Base-Backbone interact. energy: 2.654
local terms energy: -310.483733
where:
bonds (distance) C4'-P energy: -57.068
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -71.833
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -77.855
Dist. restrs. and SS energy: -192.600 (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: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1214.342075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.342075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.542075 (E_RNA)
where:
Base-Base interactions energy: -711.815
where: short stacking energy: -293.436
Base-Backbone interact. energy: -2.153
local terms energy: -300.573348
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -73.780
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1146.628886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.628886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.228886 (E_RNA)
where:
Base-Base interactions energy: -692.191
where: short stacking energy: -260.181
Base-Backbone interact. energy: 0.325
local terms energy: -242.362910
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -72.028
flat angles P-C4'-P energy: -33.721
tors. eta vs tors. theta energy: -46.032
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1162.557812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.557812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.357812 (E_RNA)
where:
Base-Base interactions energy: -662.183
where: short stacking energy: -259.299
Base-Backbone interact. energy: -1.599
local terms energy: -302.575851
where:
bonds (distance) C4'-P energy: -69.706
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -75.777
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1026.506085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.506085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.906085 (E_RNA)
where:
Base-Base interactions energy: -570.445
where: short stacking energy: -233.506
Base-Backbone interact. energy: 3.076
local terms energy: -266.537537
where:
bonds (distance) C4'-P energy: -55.158
bonds (distance) P-C4' energy: -60.634
flat angles C4'-P-C4' energy: -67.224
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: -48.904
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1495.340932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.340932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.140932 (E_RNA)
where:
Base-Base interactions energy: -909.324
where: short stacking energy: -378.350
Base-Backbone interact. energy: -2.928
local terms energy: -377.889008
where:
bonds (distance) C4'-P energy: -69.623
bonds (distance) P-C4' energy: -77.034
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -50.663
tors. eta vs tors. theta energy: -100.508
Dist. restrs. and SS energy: -205.200 (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: 467
Temperature: 0.950000
Total energy: -1402.203591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.203591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.203591 (E_RNA)
where:
Base-Base interactions energy: -811.210
where: short stacking energy: -353.967
Base-Backbone interact. energy: -1.410
local terms energy: -373.583230
where:
bonds (distance) C4'-P energy: -72.274
bonds (distance) P-C4' energy: -72.273
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -51.607
tors. eta vs tors. theta energy: -92.618
Dist. restrs. and SS energy: -216.000 (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: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1404.206034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.206034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.406034 (E_RNA)
where:
Base-Base interactions energy: -837.704
where: short stacking energy: -338.138
Base-Backbone interact. energy: 0.201
local terms energy: -348.903077
where:
bonds (distance) C4'-P energy: -62.471
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -79.045
flat angles P-C4'-P energy: -43.135
tors. eta vs tors. theta energy: -97.514
Dist. restrs. and SS energy: -217.800 (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: 467
Temperature: 1.050000
Total energy: -1349.605371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.605371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.405371 (E_RNA)
where:
Base-Base interactions energy: -794.791
where: short stacking energy: -332.331
Base-Backbone interact. energy: -2.105
local terms energy: -347.508935
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -62.438
flat angles C4'-P-C4' energy: -74.471
flat angles P-C4'-P energy: -54.714
tors. eta vs tors. theta energy: -91.439
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1294.730004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.730004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.130004 (E_RNA)
where:
Base-Base interactions energy: -756.199
where: short stacking energy: -291.597
Base-Backbone interact. energy: -1.561
local terms energy: -326.369937
where:
bonds (distance) C4'-P energy: -70.394
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -66.212
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -80.453
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1268.284143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.484143 (E_RNA)
where:
Base-Base interactions energy: -759.858
where: short stacking energy: -286.980
Base-Backbone interact. energy: -2.132
local terms energy: -306.494738
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -77.704
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1211.705142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.705142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.305142 (E_RNA)
where:
Base-Base interactions energy: -692.343
where: short stacking energy: -264.491
Base-Backbone interact. energy: 1.874
local terms energy: -317.835782
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -71.230
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -68.048
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1131.161957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.161957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.161957 (E_RNA)
where:
Base-Base interactions energy: -633.062
where: short stacking energy: -260.584
Base-Backbone interact. energy: -1.952
local terms energy: -298.148679
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -67.765
flat angles C4'-P-C4' energy: -60.752
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -75.134
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1157.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.982486 (E_RNA)
where:
Base-Base interactions energy: -671.791
where: short stacking energy: -255.638
Base-Backbone interact. energy: 3.852
local terms energy: -275.043342
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -69.677
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -29.479
tors. eta vs tors. theta energy: -60.504
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1042.668905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.668905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.468905 (E_RNA)
where:
Base-Base interactions energy: -589.197
where: short stacking energy: -237.918
Base-Backbone interact. energy: 1.897
local terms energy: -259.168663
where:
bonds (distance) C4'-P energy: -45.736
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -69.755
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -55.396
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1501.324083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.324083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.324083 (E_RNA)
where:
Base-Base interactions energy: -904.339
where: short stacking energy: -369.724
Base-Backbone interact. energy: -4.594
local terms energy: -385.390280
where:
bonds (distance) C4'-P energy: -74.072
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -81.331
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -99.761
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1414.955406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.955406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.355406 (E_RNA)
where:
Base-Base interactions energy: -845.541
where: short stacking energy: -354.808
Base-Backbone interact. energy: 0.828
local terms energy: -359.642489
where:
bonds (distance) C4'-P energy: -71.347
bonds (distance) P-C4' energy: -63.700
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -98.319
Dist. restrs. and SS energy: -210.600 (S_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: 468
Temperature: 1.000000
Total energy: -1392.832935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.832935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.832935 (E_RNA)
where:
Base-Base interactions energy: -823.936
where: short stacking energy: -325.491
Base-Backbone interact. energy: -0.652
local terms energy: -352.244541
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -79.454
flat angles C4'-P-C4' energy: -75.394
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -92.929
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1359.233396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.233396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.233396 (E_RNA)
where:
Base-Base interactions energy: -785.859
where: short stacking energy: -339.831
Base-Backbone interact. energy: -1.889
local terms energy: -364.485188
where:
bonds (distance) C4'-P energy: -59.926
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -52.894
tors. eta vs tors. theta energy: -99.028
Dist. restrs. and SS energy: -207.000 (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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1255.545092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.545092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.745092 (E_RNA)
where:
Base-Base interactions energy: -738.790
where: short stacking energy: -294.918
Base-Backbone interact. energy: -2.189
local terms energy: -314.766804
where:
bonds (distance) C4'-P energy: -50.913
bonds (distance) P-C4' energy: -69.908
flat angles C4'-P-C4' energy: -74.408
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -68.276
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1290.786962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.786962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.586962 (E_RNA)
where:
Base-Base interactions energy: -772.136
where: short stacking energy: -295.202
Base-Backbone interact. energy: 0.017
local terms energy: -304.467836
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -42.825
tors. eta vs tors. theta energy: -69.804
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1202.308598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.308598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.508598 (E_RNA)
where:
Base-Base interactions energy: -690.618
where: short stacking energy: -291.768
Base-Backbone interact. energy: -1.777
local terms energy: -310.114208
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -67.157
flat angles C4'-P-C4' energy: -70.949
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -66.869
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1157.289038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.289038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.689038 (E_RNA)
where:
Base-Base interactions energy: -679.635
where: short stacking energy: -277.891
Base-Backbone interact. energy: -0.977
local terms energy: -275.076407
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -59.610
flat angles C4'-P-C4' energy: -66.000
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -70.511
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1118.793006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.793006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.593006 (E_RNA)
where:
Base-Base interactions energy: -650.602
where: short stacking energy: -242.473
Base-Backbone interact. energy: -1.802
local terms energy: -252.188690
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -55.594
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -39.575
tors. eta vs tors. theta energy: -54.308
Dist. restrs. and SS energy: -214.200 (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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1024.961995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.961995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.961995 (E_RNA)
where:
Base-Base interactions energy: -576.783
where: short stacking energy: -220.315
Base-Backbone interact. energy: -0.427
local terms energy: -249.752175
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -41.814
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1468.255458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.255458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.855458 (E_RNA)
where:
Base-Base interactions energy: -888.720
where: short stacking energy: -377.118
Base-Backbone interact. energy: -1.397
local terms energy: -374.738817
where:
bonds (distance) C4'-P energy: -69.142
bonds (distance) P-C4' energy: -68.913
flat angles C4'-P-C4' energy: -84.692
flat angles P-C4'-P energy: -48.070
tors. eta vs tors. theta energy: -103.922
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1429.269956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.269956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.269956 (E_RNA)
where:
Base-Base interactions energy: -874.397
where: short stacking energy: -360.138
Base-Backbone interact. energy: -2.502
local terms energy: -336.370267
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -63.406
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -46.500
tors. eta vs tors. theta energy: -86.349
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1393.221637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.221637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.221637 (E_RNA)
where:
Base-Base interactions energy: -810.046
where: short stacking energy: -335.174
Base-Backbone interact. energy: -0.661
local terms energy: -366.514662
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -80.927
flat angles P-C4'-P energy: -49.213
tors. eta vs tors. theta energy: -94.239
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1371.573772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.573772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.173772 (E_RNA)
where:
Base-Base interactions energy: -813.372
where: short stacking energy: -346.793
Base-Backbone interact. energy: -1.521
local terms energy: -353.281511
where:
bonds (distance) C4'-P energy: -59.769
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -80.067
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -101.935
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1263.530720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.530720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.930720 (E_RNA)
where:
Base-Base interactions energy: -737.880
where: short stacking energy: -286.909
Base-Backbone interact. energy: 1.480
local terms energy: -325.530247
where:
bonds (distance) C4'-P energy: -72.694
bonds (distance) P-C4' energy: -68.582
flat angles C4'-P-C4' energy: -66.744
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -69.859
Dist. restrs. and SS energy: -201.600 (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: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1280.730207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.730207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.330207 (E_RNA)
where:
Base-Base interactions energy: -756.204
where: short stacking energy: -279.073
Base-Backbone interact. energy: -3.994
local terms energy: -308.131836
where:
bonds (distance) C4'-P energy: -64.710
bonds (distance) P-C4' energy: -71.828
flat angles C4'-P-C4' energy: -67.894
flat angles P-C4'-P energy: -47.545
tors. eta vs tors. theta energy: -56.154
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1210.822922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.822922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.822922 (E_RNA)
where:
Base-Base interactions energy: -698.306
where: short stacking energy: -288.261
Base-Backbone interact. energy: -1.626
local terms energy: -312.890977
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -61.224
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -71.565
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1189.330618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.330618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.930618 (E_RNA)
where:
Base-Base interactions energy: -688.458
where: short stacking energy: -262.084
Base-Backbone interact. energy: -0.768
local terms energy: -287.705420
where:
bonds (distance) C4'-P energy: -57.348
bonds (distance) P-C4' energy: -57.983
flat angles C4'-P-C4' energy: -64.335
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -57.985
Dist. restrs. and SS energy: -212.400 (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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1107.732933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.532933 (E_RNA)
where:
Base-Base interactions energy: -621.878
where: short stacking energy: -250.880
Base-Backbone interact. energy: 1.457
local terms energy: -291.111692
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -66.539
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -63.132
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -995.017086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.017086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.217086 (E_RNA)
where:
Base-Base interactions energy: -558.079
where: short stacking energy: -217.044
Base-Backbone interact. energy: -1.701
local terms energy: -244.437396
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -53.418
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1465.161055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.161055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.761055 (E_RNA)
where:
Base-Base interactions energy: -877.838
where: short stacking energy: -349.647
Base-Backbone interact. energy: 0.167
local terms energy: -384.090055
where:
bonds (distance) C4'-P energy: -77.240
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -77.400
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -104.250
Dist. restrs. and SS energy: -203.400 (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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1440.973666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.973666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.173666 (E_RNA)
where:
Base-Base interactions energy: -854.270
where: short stacking energy: -314.260
Base-Backbone interact. energy: 0.874
local terms energy: -369.778089
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -76.633
flat angles C4'-P-C4' energy: -82.909
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -73.849
Dist. restrs. and SS energy: -217.800 (S_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: 470
Temperature: 1.000000
Total energy: -1385.514322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.514322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.114322 (E_RNA)
where:
Base-Base interactions energy: -811.964
where: short stacking energy: -330.738
Base-Backbone interact. energy: 0.718
local terms energy: -361.868213
where:
bonds (distance) C4'-P energy: -82.529
bonds (distance) P-C4' energy: -59.963
flat angles C4'-P-C4' energy: -82.765
flat angles P-C4'-P energy: -48.509
tors. eta vs tors. theta energy: -88.103
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1351.162220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.162220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.962220 (E_RNA)
where:
Base-Base interactions energy: -806.388
where: short stacking energy: -339.045
Base-Backbone interact. energy: -0.960
local terms energy: -338.614237
where:
bonds (distance) C4'-P energy: -70.858
bonds (distance) P-C4' energy: -58.020
flat angles C4'-P-C4' energy: -73.144
flat angles P-C4'-P energy: -44.074
tors. eta vs tors. theta energy: -92.518
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1276.533009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.533009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.533009 (E_RNA)
where:
Base-Base interactions energy: -752.171
where: short stacking energy: -297.130
Base-Backbone interact. energy: -0.627
local terms energy: -325.735274
where:
bonds (distance) C4'-P energy: -64.389
bonds (distance) P-C4' energy: -77.043
flat angles C4'-P-C4' energy: -63.516
flat angles P-C4'-P energy: -49.443
tors. eta vs tors. theta energy: -71.344
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1274.720097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.720097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.520097 (E_RNA)
where:
Base-Base interactions energy: -728.699
where: short stacking energy: -287.201
Base-Backbone interact. energy: -1.259
local terms energy: -330.562031
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -77.542
flat angles C4'-P-C4' energy: -67.909
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -76.992
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1200.162309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.162309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.762309 (E_RNA)
where:
Base-Base interactions energy: -692.100
where: short stacking energy: -268.232
Base-Backbone interact. energy: 1.291
local terms energy: -296.953435
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -64.207
Dist. restrs. and SS energy: -212.400 (S_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: -1164.703462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.703462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.903462 (E_RNA)
where:
Base-Base interactions energy: -670.236
where: short stacking energy: -265.107
Base-Backbone interact. energy: 3.147
local terms energy: -297.815278
where:
bonds (distance) C4'-P energy: -61.342
bonds (distance) P-C4' energy: -64.357
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -69.111
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1087.076003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.076003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.876003 (E_RNA)
where:
Base-Base interactions energy: -598.382
where: short stacking energy: -252.800
Base-Backbone interact. energy: -1.331
local terms energy: -291.162737
where:
bonds (distance) C4'-P energy: -63.373
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -50.019
tors. eta vs tors. theta energy: -63.774
Dist. restrs. and SS energy: -196.200 (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: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1013.227333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.227333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.027333 (E_RNA)
where:
Base-Base interactions energy: -569.097
where: short stacking energy: -214.327
Base-Backbone interact. energy: 0.925
local terms energy: -248.855009
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -44.883
tors. eta vs tors. theta energy: -43.391
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1480.737771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.737771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.737771 (E_RNA)
where:
Base-Base interactions energy: -886.221
where: short stacking energy: -380.954
Base-Backbone interact. energy: -1.168
local terms energy: -386.348628
where:
bonds (distance) C4'-P energy: -66.089
bonds (distance) P-C4' energy: -79.764
flat angles C4'-P-C4' energy: -85.554
flat angles P-C4'-P energy: -50.257
tors. eta vs tors. theta energy: -104.684
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1440.694023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.694023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.694023 (E_RNA)
where:
Base-Base interactions energy: -861.029
where: short stacking energy: -326.429
Base-Backbone interact. energy: -4.697
local terms energy: -358.968731
where:
bonds (distance) C4'-P energy: -70.840
bonds (distance) P-C4' energy: -72.682
flat angles C4'-P-C4' energy: -85.079
flat angles P-C4'-P energy: -48.475
tors. eta vs tors. theta energy: -81.893
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1411.578300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.578300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.978300 (E_RNA)
where:
Base-Base interactions energy: -856.305
where: short stacking energy: -347.526
Base-Backbone interact. energy: 0.837
local terms energy: -345.510053
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -70.422
flat angles C4'-P-C4' energy: -75.027
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -88.817
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1352.860286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.860286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.060286 (E_RNA)
where:
Base-Base interactions energy: -807.742
where: short stacking energy: -331.251
Base-Backbone interact. energy: -0.517
local terms energy: -335.802239
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -68.980
flat angles P-C4'-P energy: -47.587
tors. eta vs tors. theta energy: -94.421
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1254.136701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.136701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.336701 (E_RNA)
where:
Base-Base interactions energy: -722.857
where: short stacking energy: -307.606
Base-Backbone interact. energy: -4.583
local terms energy: -326.896160
where:
bonds (distance) C4'-P energy: -66.211
bonds (distance) P-C4' energy: -69.153
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -52.364
tors. eta vs tors. theta energy: -76.052
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1249.276831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.276831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.276831 (E_RNA)
where:
Base-Base interactions energy: -723.734
where: short stacking energy: -286.215
Base-Backbone interact. energy: 3.567
local terms energy: -313.110304
where:
bonds (distance) C4'-P energy: -61.949
bonds (distance) P-C4' energy: -70.062
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -68.407
Dist. restrs. and SS energy: -216.000 (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: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1186.545297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.545297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.945297 (E_RNA)
where:
Base-Base interactions energy: -682.738
where: short stacking energy: -270.512
Base-Backbone interact. energy: 0.243
local terms energy: -293.449892
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -54.110
tors. eta vs tors. theta energy: -63.221
Dist. restrs. and SS energy: -210.600 (S_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: 471
Temperature: 1.250000
Total energy: -1175.455237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.455237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.255237 (E_RNA)
where:
Base-Base interactions energy: -667.486
where: short stacking energy: -285.600
Base-Backbone interact. energy: -2.298
local terms energy: -309.470343
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -72.826
flat angles C4'-P-C4' energy: -74.847
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: -70.204
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1104.771692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.771692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.771692 (E_RNA)
where:
Base-Base interactions energy: -629.740
where: short stacking energy: -247.407
Base-Backbone interact. energy: -2.081
local terms energy: -274.951429
where:
bonds (distance) C4'-P energy: -65.528
bonds (distance) P-C4' energy: -60.646
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -62.000
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1017.154018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.154018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.754018 (E_RNA)
where:
Base-Base interactions energy: -566.008
where: short stacking energy: -218.355
Base-Backbone interact. energy: -2.676
local terms energy: -254.070310
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -47.430
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1466.860873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.860873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.660873 (E_RNA)
where:
Base-Base interactions energy: -868.573
where: short stacking energy: -349.639
Base-Backbone interact. energy: -3.256
local terms energy: -380.832230
where:
bonds (distance) C4'-P energy: -76.469
bonds (distance) P-C4' energy: -79.543
flat angles C4'-P-C4' energy: -86.664
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1447.636050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.636050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.836050 (E_RNA)
where:
Base-Base interactions energy: -861.104
where: short stacking energy: -359.702
Base-Backbone interact. energy: -0.726
local terms energy: -377.005714
where:
bonds (distance) C4'-P energy: -69.828
bonds (distance) P-C4' energy: -61.882
flat angles C4'-P-C4' energy: -82.272
flat angles P-C4'-P energy: -60.412
tors. eta vs tors. theta energy: -102.611
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1370.442734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.442734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.642734 (E_RNA)
where:
Base-Base interactions energy: -785.499
where: short stacking energy: -325.625
Base-Backbone interact. energy: -0.678
local terms energy: -375.465654
where:
bonds (distance) C4'-P energy: -64.635
bonds (distance) P-C4' energy: -76.563
flat angles C4'-P-C4' energy: -78.178
flat angles P-C4'-P energy: -60.287
tors. eta vs tors. theta energy: -95.802
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1379.513159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.513159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.513159 (E_RNA)
where:
Base-Base interactions energy: -811.391
where: short stacking energy: -324.353
Base-Backbone interact. energy: 3.974
local terms energy: -356.096545
where:
bonds (distance) C4'-P energy: -72.532
bonds (distance) P-C4' energy: -76.196
flat angles C4'-P-C4' energy: -74.139
flat angles P-C4'-P energy: -54.188
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: -216.000 (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: 472
Temperature: 1.100000
Total energy: -1317.461419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.461419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.861419 (E_RNA)
where:
Base-Base interactions energy: -762.077
where: short stacking energy: -292.076
Base-Backbone interact. energy: 0.121
local terms energy: -344.905982
where:
bonds (distance) C4'-P energy: -59.909
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -79.595
flat angles P-C4'-P energy: -56.514
tors. eta vs tors. theta energy: -86.149
Dist. restrs. and SS energy: -210.600 (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: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1231.419630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.419630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.619630 (E_RNA)
where:
Base-Base interactions energy: -711.486
where: short stacking energy: -276.169
Base-Backbone interact. energy: 0.095
local terms energy: -320.228717
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -76.074
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -57.758
tors. eta vs tors. theta energy: -69.956
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1210.629031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.629031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.229031 (E_RNA)
where:
Base-Base interactions energy: -679.223
where: short stacking energy: -276.812
Base-Backbone interact. energy: -0.549
local terms energy: -327.456776
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -64.391
flat angles C4'-P-C4' energy: -68.607
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -76.375
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1162.499584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.499584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.899584 (E_RNA)
where:
Base-Base interactions energy: -684.954
where: short stacking energy: -259.906
Base-Backbone interact. energy: -1.905
local terms energy: -265.040588
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1088.651454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.651454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.851454 (E_RNA)
where:
Base-Base interactions energy: -628.283
where: short stacking energy: -242.293
Base-Backbone interact. energy: 0.090
local terms energy: -260.657682
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -64.403
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -49.539
tors. eta vs tors. theta energy: -54.517
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1068.105377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.105377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.505377 (E_RNA)
where:
Base-Base interactions energy: -600.517
where: short stacking energy: -239.581
Base-Backbone interact. energy: 0.971
local terms energy: -275.959870
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -63.486
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -55.389
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1448.881055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.681055 (E_RNA)
where:
Base-Base interactions energy: -875.849
where: short stacking energy: -351.715
Base-Backbone interact. energy: -0.912
local terms energy: -357.920169
where:
bonds (distance) C4'-P energy: -59.384
bonds (distance) P-C4' energy: -80.525
flat angles C4'-P-C4' energy: -78.008
flat angles P-C4'-P energy: -54.457
tors. eta vs tors. theta energy: -85.546
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1428.034332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.034332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.234332 (E_RNA)
where:
Base-Base interactions energy: -866.706
where: short stacking energy: -327.269
Base-Backbone interact. energy: -0.204
local terms energy: -352.323964
where:
bonds (distance) C4'-P energy: -71.196
bonds (distance) P-C4' energy: -70.709
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -54.931
tors. eta vs tors. theta energy: -88.717
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1408.946085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.946085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.946085 (E_RNA)
where:
Base-Base interactions energy: -838.223
where: short stacking energy: -350.334
Base-Backbone interact. energy: 0.908
local terms energy: -364.631405
where:
bonds (distance) C4'-P energy: -77.859
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -81.491
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -94.192
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1361.292307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.292307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.492307 (E_RNA)
where:
Base-Base interactions energy: -817.730
where: short stacking energy: -308.597
Base-Backbone interact. energy: 1.850
local terms energy: -336.611599
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -66.786
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1338.457024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.457024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.657024 (E_RNA)
where:
Base-Base interactions energy: -784.544
where: short stacking energy: -295.975
Base-Backbone interact. energy: -2.359
local terms energy: -333.753517
where:
bonds (distance) C4'-P energy: -74.179
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -86.541
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1241.507449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.507449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.907449 (E_RNA)
where:
Base-Base interactions energy: -735.814
where: short stacking energy: -289.958
Base-Backbone interact. energy: 4.159
local terms energy: -308.252827
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -64.165
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -75.036
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1190.493002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.493002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.093002 (E_RNA)
where:
Base-Base interactions energy: -686.284
where: short stacking energy: -276.235
Base-Backbone interact. energy: 0.463
local terms energy: -310.271835
where:
bonds (distance) C4'-P energy: -62.531
bonds (distance) P-C4' energy: -66.744
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -75.127
Dist. restrs. and SS energy: -194.400 (S_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: 473
Temperature: 1.250000
Total energy: -1055.519050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.519050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.719050 (E_RNA)
where:
Base-Base interactions energy: -594.133
where: short stacking energy: -226.026
Base-Backbone interact. energy: -1.165
local terms energy: -260.421229
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -54.976
flat angles C4'-P-C4' energy: -59.643
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -58.320
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1138.069657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.069657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.069657 (E_RNA)
where:
Base-Base interactions energy: -655.616
where: short stacking energy: -255.503
Base-Backbone interact. energy: 0.634
local terms energy: -276.087650
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -61.681
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -63.501
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. 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: -1066.291261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.291261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.091261 (E_RNA)
where:
Base-Base interactions energy: -603.097
where: short stacking energy: -246.462
Base-Backbone interact. energy: -0.704
local terms energy: -266.289938
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -33.837
tors. eta vs tors. theta energy: -55.557
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1466.965652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.965652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.965652 (E_RNA)
where:
Base-Base interactions energy: -884.217
where: short stacking energy: -355.347
Base-Backbone interact. energy: -1.917
local terms energy: -373.831575
where:
bonds (distance) C4'-P energy: -76.196
bonds (distance) P-C4' energy: -78.384
flat angles C4'-P-C4' energy: -71.849
flat angles P-C4'-P energy: -53.893
tors. eta vs tors. theta energy: -93.510
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1431.267613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.267613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.467613 (E_RNA)
where:
Base-Base interactions energy: -848.394
where: short stacking energy: -337.313
Base-Backbone interact. energy: -0.770
local terms energy: -364.303002
where:
bonds (distance) C4'-P energy: -64.055
bonds (distance) P-C4' energy: -78.650
flat angles C4'-P-C4' energy: -77.992
flat angles P-C4'-P energy: -55.589
tors. eta vs tors. theta energy: -88.018
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1390.555665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.555665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.555665 (E_RNA)
where:
Base-Base interactions energy: -829.573
where: short stacking energy: -333.450
Base-Backbone interact. energy: 2.850
local terms energy: -356.832910
where:
bonds (distance) C4'-P energy: -73.311
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -81.306
flat angles P-C4'-P energy: -49.402
tors. eta vs tors. theta energy: -89.927
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1385.614377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.614377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.214377 (E_RNA)
where:
Base-Base interactions energy: -820.224
where: short stacking energy: -314.502
Base-Backbone interact. energy: 6.829
local terms energy: -359.818443
where:
bonds (distance) C4'-P energy: -69.146
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -81.386
flat angles P-C4'-P energy: -57.269
tors. eta vs tors. theta energy: -79.275
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1306.535316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.535316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.535316 (E_RNA)
where:
Base-Base interactions energy: -755.685
where: short stacking energy: -292.477
Base-Backbone interact. energy: -3.113
local terms energy: -331.736692
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -67.848
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -50.272
tors. eta vs tors. theta energy: -78.120
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1229.825090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.825090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.825090 (E_RNA)
where:
Base-Base interactions energy: -747.080
where: short stacking energy: -304.210
Base-Backbone interact. energy: -2.092
local terms energy: -282.652541
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -67.309
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -68.876
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1182.483420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.483420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.483420 (E_RNA)
where:
Base-Base interactions energy: -676.424
where: short stacking energy: -270.394
Base-Backbone interact. energy: -0.846
local terms energy: -307.213781
where:
bonds (distance) C4'-P energy: -59.273
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -72.387
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -66.204
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1094.683253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.683253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.683253 (E_RNA)
where:
Base-Base interactions energy: -639.782
where: short stacking energy: -243.924
Base-Backbone interact. energy: 0.415
local terms energy: -257.315677
where:
bonds (distance) C4'-P energy: -53.304
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -37.557
tors. eta vs tors. theta energy: -48.080
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1153.497375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.497375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.097375 (E_RNA)
where:
Base-Base interactions energy: -668.992
where: short stacking energy: -259.637
Base-Backbone interact. energy: -1.361
local terms energy: -270.744717
where:
bonds (distance) C4'-P energy: -57.027
bonds (distance) P-C4' energy: -48.505
flat angles C4'-P-C4' energy: -61.702
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -61.458
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1032.362117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.362117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.962117 (E_RNA)
where:
Base-Base interactions energy: -594.667
where: short stacking energy: -226.870
Base-Backbone interact. energy: 1.401
local terms energy: -244.696219
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -62.882
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -30.167
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1496.052033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.052033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.052033 (E_RNA)
where:
Base-Base interactions energy: -905.649
where: short stacking energy: -366.544
Base-Backbone interact. energy: -0.139
local terms energy: -383.264029
where:
bonds (distance) C4'-P energy: -65.635
bonds (distance) P-C4' energy: -80.368
flat angles C4'-P-C4' energy: -81.195
flat angles P-C4'-P energy: -56.264
tors. eta vs tors. theta energy: -99.802
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1436.724511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.724511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.124511 (E_RNA)
where:
Base-Base interactions energy: -860.652
where: short stacking energy: -348.662
Base-Backbone interact. energy: -1.004
local terms energy: -364.468385
where:
bonds (distance) C4'-P energy: -77.093
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -72.922
flat angles P-C4'-P energy: -49.908
tors. eta vs tors. theta energy: -96.632
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1381.871464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.871464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.871464 (E_RNA)
where:
Base-Base interactions energy: -804.825
where: short stacking energy: -330.697
Base-Backbone interact. energy: -1.276
local terms energy: -368.770657
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -74.385
flat angles C4'-P-C4' energy: -82.470
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -91.803
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1338.378490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.378490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.978490 (E_RNA)
where:
Base-Base interactions energy: -790.207
where: short stacking energy: -303.278
Base-Backbone interact. energy: 1.376
local terms energy: -337.147450
where:
bonds (distance) C4'-P energy: -75.463
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -81.138
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -76.242
Dist. restrs. and SS energy: -212.400 (S_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: 475
Temperature: 1.100000
Total energy: -1356.985797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.985797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.985797 (E_RNA)
where:
Base-Base interactions energy: -806.422
where: short stacking energy: -315.494
Base-Backbone interact. energy: -1.751
local terms energy: -332.812559
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -74.070
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -82.306
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1232.014709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.014709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.014709 (E_RNA)
where:
Base-Base interactions energy: -720.951
where: short stacking energy: -280.751
Base-Backbone interact. energy: -3.139
local terms energy: -309.924789
where:
bonds (distance) C4'-P energy: -68.125
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -72.260
flat angles P-C4'-P energy: -49.936
tors. eta vs tors. theta energy: -66.575
Dist. restrs. and SS energy: -198.000 (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: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1179.655340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.655340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.855340 (E_RNA)
where:
Base-Base interactions energy: -692.532
where: short stacking energy: -274.800
Base-Backbone interact. energy: 3.217
local terms energy: -290.540653
where:
bonds (distance) C4'-P energy: -62.375
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -36.370
tors. eta vs tors. theta energy: -59.194
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1159.972608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.972608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.172608 (E_RNA)
where:
Base-Base interactions energy: -662.888
where: short stacking energy: -277.622
Base-Backbone interact. energy: -1.462
local terms energy: -286.823360
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -67.375
flat angles C4'-P-C4' energy: -53.910
flat angles P-C4'-P energy: -39.530
tors. eta vs tors. theta energy: -61.194
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1070.245249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.245249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.045249 (E_RNA)
where:
Base-Base interactions energy: -588.100
where: short stacking energy: -224.643
Base-Backbone interact. energy: -1.145
local terms energy: -284.800391
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -44.384
tors. eta vs tors. theta energy: -49.959
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1060.385397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.385397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.385397 (E_RNA)
where:
Base-Base interactions energy: -591.822
where: short stacking energy: -222.629
Base-Backbone interact. energy: -1.950
local terms energy: -277.612686
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -57.524
Dist. restrs. and SS energy: -189.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1474.247611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.247611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.047611 (E_RNA)
where:
Base-Base interactions energy: -900.596
where: short stacking energy: -362.131
Base-Backbone interact. energy: -0.389
local terms energy: -368.061843
where:
bonds (distance) C4'-P energy: -76.725
bonds (distance) P-C4' energy: -66.161
flat angles C4'-P-C4' energy: -78.160
flat angles P-C4'-P energy: -47.690
tors. eta vs tors. theta energy: -99.327
Dist. restrs. and SS energy: -205.200 (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: 3
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1446.282689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.282689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.082689 (E_RNA)
where:
Base-Base interactions energy: -852.471
where: short stacking energy: -344.756
Base-Backbone interact. energy: 1.154
local terms energy: -380.765626
where:
bonds (distance) C4'-P energy: -80.139
bonds (distance) P-C4' energy: -76.761
flat angles C4'-P-C4' energy: -82.252
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: -87.303
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1422.105459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.505459 (E_RNA)
where:
Base-Base interactions energy: -844.603
where: short stacking energy: -344.771
Base-Backbone interact. energy: -2.282
local terms energy: -373.620286
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -72.811
flat angles C4'-P-C4' energy: -84.408
flat angles P-C4'-P energy: -50.813
tors. eta vs tors. theta energy: -105.104
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1389.230194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.230194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.030194 (E_RNA)
where:
Base-Base interactions energy: -830.809
where: short stacking energy: -328.339
Base-Backbone interact. energy: -2.601
local terms energy: -341.620440
where:
bonds (distance) C4'-P energy: -71.046
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -73.189
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: -81.624
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1386.805530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.805530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.605530 (E_RNA)
where:
Base-Base interactions energy: -811.412
where: short stacking energy: -320.237
Base-Backbone interact. energy: -1.549
local terms energy: -359.644363
where:
bonds (distance) C4'-P energy: -74.252
bonds (distance) P-C4' energy: -67.909
flat angles C4'-P-C4' energy: -73.864
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -90.667
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1240.771111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.771111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.771111 (E_RNA)
where:
Base-Base interactions energy: -748.613
where: short stacking energy: -289.018
Base-Backbone interact. energy: -1.289
local terms energy: -292.869044
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -58.373
flat angles C4'-P-C4' energy: -63.098
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -69.832
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1176.379745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.379745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.379745 (E_RNA)
where:
Base-Base interactions energy: -692.807
where: short stacking energy: -285.483
Base-Backbone interact. energy: -0.324
local terms energy: -267.248777
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -53.911
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -34.597
tors. eta vs tors. theta energy: -63.253
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1163.098214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.098214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.098214 (E_RNA)
where:
Base-Base interactions energy: -641.158
where: short stacking energy: -261.297
Base-Backbone interact. energy: -0.382
local terms energy: -323.558504
where:
bonds (distance) C4'-P energy: -59.048
bonds (distance) P-C4' energy: -70.542
flat angles C4'-P-C4' energy: -65.294
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: -73.856
Dist. restrs. and SS energy: -198.000 (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: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1040.656323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.656323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.656323 (E_RNA)
where:
Base-Base interactions energy: -588.679
where: short stacking energy: -206.649
Base-Backbone interact. energy: 2.499
local terms energy: -256.476146
where:
bonds (distance) C4'-P energy: -65.310
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -29.015
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1067.231755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.831755 (E_RNA)
where:
Base-Base interactions energy: -624.292
where: short stacking energy: -252.010
Base-Backbone interact. energy: -3.065
local terms energy: -245.474745
where:
bonds (distance) C4'-P energy: -47.411
bonds (distance) P-C4' energy: -46.548
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -56.794
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1480.507033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.507033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.707033 (E_RNA)
where:
Base-Base interactions energy: -880.372
where: short stacking energy: -359.314
Base-Backbone interact. energy: -2.155
local terms energy: -389.180083
where:
bonds (distance) C4'-P energy: -77.822
bonds (distance) P-C4' energy: -76.389
flat angles C4'-P-C4' energy: -87.074
flat angles P-C4'-P energy: -50.748
tors. eta vs tors. theta energy: -97.148
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1461.106378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.106378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.306378 (E_RNA)
where:
Base-Base interactions energy: -896.614
where: short stacking energy: -357.361
Base-Backbone interact. energy: -2.327
local terms energy: -344.364629
where:
bonds (distance) C4'-P energy: -59.686
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -75.220
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -92.353
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1386.280374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.280374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.680374 (E_RNA)
where:
Base-Base interactions energy: -826.171
where: short stacking energy: -336.531
Base-Backbone interact. energy: 0.115
local terms energy: -358.623480
where:
bonds (distance) C4'-P energy: -72.667
bonds (distance) P-C4' energy: -67.391
flat angles C4'-P-C4' energy: -85.850
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -91.958
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1402.326354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.326354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.326354 (E_RNA)
where:
Base-Base interactions energy: -833.231
where: short stacking energy: -324.474
Base-Backbone interact. energy: 0.063
local terms energy: -353.159136
where:
bonds (distance) C4'-P energy: -74.858
bonds (distance) P-C4' energy: -57.843
flat angles C4'-P-C4' energy: -81.590
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: -96.366
Dist. restrs. and SS energy: -216.000 (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: 477
Temperature: 1.100000
Total energy: -1322.405857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.405857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.405857 (E_RNA)
where:
Base-Base interactions energy: -772.102
where: short stacking energy: -303.847
Base-Backbone interact. energy: -2.917
local terms energy: -331.387530
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -62.795
flat angles C4'-P-C4' energy: -83.482
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1219.660884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.660884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.260884 (E_RNA)
where:
Base-Base interactions energy: -693.024
where: short stacking energy: -280.437
Base-Backbone interact. energy: -3.013
local terms energy: -311.223367
where:
bonds (distance) C4'-P energy: -48.945
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -78.076
flat angles P-C4'-P energy: -62.095
tors. eta vs tors. theta energy: -59.606
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1228.388862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.388862 (E_RNA)
where:
Base-Base interactions energy: -726.827
where: short stacking energy: -297.717
Base-Backbone interact. energy: -2.073
local terms energy: -301.489019
where:
bonds (distance) C4'-P energy: -57.877
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -80.939
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1161.816732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.816732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.216732 (E_RNA)
where:
Base-Base interactions energy: -674.757
where: short stacking energy: -263.814
Base-Backbone interact. energy: 1.333
local terms energy: -286.792736
where:
bonds (distance) C4'-P energy: -42.020
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -52.479
tors. eta vs tors. theta energy: -65.054
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1051.238343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.238343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.238343 (E_RNA)
where:
Base-Base interactions energy: -586.985
where: short stacking energy: -231.734
Base-Backbone interact. energy: 6.164
local terms energy: -272.417425
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -76.228
flat angles C4'-P-C4' energy: -61.488
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1041.483562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.483562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.083562 (E_RNA)
where:
Base-Base interactions energy: -555.204
where: short stacking energy: -220.868
Base-Backbone interact. energy: 0.263
local terms energy: -292.142567
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -50.364
tors. eta vs tors. theta energy: -57.070
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1473.625846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.625846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.825846 (E_RNA)
where:
Base-Base interactions energy: -877.834
where: short stacking energy: -345.255
Base-Backbone interact. energy: -2.872
local terms energy: -384.119760
where:
bonds (distance) C4'-P energy: -74.952
bonds (distance) P-C4' energy: -71.883
flat angles C4'-P-C4' energy: -81.447
flat angles P-C4'-P energy: -57.939
tors. eta vs tors. theta energy: -97.899
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1441.211290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.211290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.611290 (E_RNA)
where:
Base-Base interactions energy: -867.451
where: short stacking energy: -325.478
Base-Backbone interact. energy: -2.931
local terms energy: -360.229267
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -69.334
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -89.814
Dist. restrs. and SS energy: -210.600 (S_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: 478
Temperature: 1.000000
Total energy: -1445.018814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.018814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.018814 (E_RNA)
where:
Base-Base interactions energy: -873.691
where: short stacking energy: -345.262
Base-Backbone interact. energy: -0.562
local terms energy: -354.765594
where:
bonds (distance) C4'-P energy: -54.523
bonds (distance) P-C4' energy: -71.171
flat angles C4'-P-C4' energy: -81.225
flat angles P-C4'-P energy: -51.493
tors. eta vs tors. theta energy: -96.355
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1352.747037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.747037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.547037 (E_RNA)
where:
Base-Base interactions energy: -801.177
where: short stacking energy: -331.587
Base-Backbone interact. energy: -1.569
local terms energy: -344.800611
where:
bonds (distance) C4'-P energy: -61.933
bonds (distance) P-C4' energy: -73.469
flat angles C4'-P-C4' energy: -76.248
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -94.919
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1307.408651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.408651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.408651 (E_RNA)
where:
Base-Base interactions energy: -787.507
where: short stacking energy: -303.509
Base-Backbone interact. energy: -3.467
local terms energy: -300.434555
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -66.185
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -69.522
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1233.275451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.275451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.075451 (E_RNA)
where:
Base-Base interactions energy: -691.625
where: short stacking energy: -274.937
Base-Backbone interact. energy: -2.304
local terms energy: -325.146321
where:
bonds (distance) C4'-P energy: -65.977
bonds (distance) P-C4' energy: -76.589
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -70.002
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1209.087384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.087384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.087384 (E_RNA)
where:
Base-Base interactions energy: -718.896
where: short stacking energy: -292.737
Base-Backbone interact. energy: 0.236
local terms energy: -292.427672
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -57.486
flat angles C4'-P-C4' energy: -66.751
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -70.198
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1185.103050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.103050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.303050 (E_RNA)
where:
Base-Base interactions energy: -698.246
where: short stacking energy: -286.499
Base-Backbone interact. energy: -0.134
local terms energy: -286.923034
where:
bonds (distance) C4'-P energy: -61.341
bonds (distance) P-C4' energy: -59.541
flat angles C4'-P-C4' energy: -58.255
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -66.993
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1069.625881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.625881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.025881 (E_RNA)
where:
Base-Base interactions energy: -585.987
where: short stacking energy: -234.817
Base-Backbone interact. energy: -2.594
local terms energy: -288.445212
where:
bonds (distance) C4'-P energy: -54.776
bonds (distance) P-C4' energy: -67.718
flat angles C4'-P-C4' energy: -73.485
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -53.101
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1012.978025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.978025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.578025 (E_RNA)
where:
Base-Base interactions energy: -566.680
where: short stacking energy: -225.837
Base-Backbone interact. energy: -1.167
local terms energy: -259.731507
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -64.776
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -45.433
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1472.639464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.639464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.639464 (E_RNA)
where:
Base-Base interactions energy: -882.547
where: short stacking energy: -359.992
Base-Backbone interact. energy: 3.408
local terms energy: -386.500555
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -82.003
flat angles C4'-P-C4' energy: -74.155
flat angles P-C4'-P energy: -46.459
tors. eta vs tors. theta energy: -104.622
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1417.929786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.929786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.929786 (E_RNA)
where:
Base-Base interactions energy: -859.862
where: short stacking energy: -323.567
Base-Backbone interact. energy: -0.364
local terms energy: -341.703975
where:
bonds (distance) C4'-P energy: -65.607
bonds (distance) P-C4' energy: -65.459
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -54.048
tors. eta vs tors. theta energy: -86.147
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1423.162755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.162755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.962755 (E_RNA)
where:
Base-Base interactions energy: -837.960
where: short stacking energy: -338.008
Base-Backbone interact. energy: -2.477
local terms energy: -368.526441
where:
bonds (distance) C4'-P energy: -79.170
bonds (distance) P-C4' energy: -65.263
flat angles C4'-P-C4' energy: -76.302
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -94.058
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1339.726500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.726500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.526500 (E_RNA)
where:
Base-Base interactions energy: -809.667
where: short stacking energy: -305.259
Base-Backbone interact. energy: 0.274
local terms energy: -316.133383
where:
bonds (distance) C4'-P energy: -65.245
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -73.886
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -77.734
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1338.650939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.650939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.450939 (E_RNA)
where:
Base-Base interactions energy: -781.758
where: short stacking energy: -315.049
Base-Backbone interact. energy: -0.968
local terms energy: -350.725122
where:
bonds (distance) C4'-P energy: -70.673
bonds (distance) P-C4' energy: -77.627
flat angles C4'-P-C4' energy: -68.328
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: -87.778
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1207.919999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.919999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.719999 (E_RNA)
where:
Base-Base interactions energy: -718.149
where: short stacking energy: -289.946
Base-Backbone interact. energy: -0.454
local terms energy: -284.116238
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -61.650
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -69.180
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1221.507977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.507977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.707977 (E_RNA)
where:
Base-Base interactions energy: -716.823
where: short stacking energy: -273.240
Base-Backbone interact. energy: -5.049
local terms energy: -299.836357
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -74.665
flat angles C4'-P-C4' energy: -63.564
flat angles P-C4'-P energy: -35.341
tors. eta vs tors. theta energy: -68.907
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1166.195583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.195583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.395583 (E_RNA)
where:
Base-Base interactions energy: -694.400
where: short stacking energy: -269.600
Base-Backbone interact. energy: 2.643
local terms energy: -283.637671
where:
bonds (distance) C4'-P energy: -65.045
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -63.027
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1056.695219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.695219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.095219 (E_RNA)
where:
Base-Base interactions energy: -618.706
where: short stacking energy: -232.685
Base-Backbone interact. energy: -1.430
local terms energy: -243.958921
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1031.082200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.082200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.882200 (E_RNA)
where:
Base-Base interactions energy: -607.702
where: short stacking energy: -236.871
Base-Backbone interact. energy: 3.359
local terms energy: -248.539338
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -48.331
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1488.746525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.746525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.746525 (E_RNA)
where:
Base-Base interactions energy: -910.245
where: short stacking energy: -363.137
Base-Backbone interact. energy: -2.057
local terms energy: -369.444360
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -59.908
flat angles C4'-P-C4' energy: -84.538
flat angles P-C4'-P energy: -49.278
tors. eta vs tors. theta energy: -103.879
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1443.853613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.853613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.453613 (E_RNA)
where:
Base-Base interactions energy: -867.868
where: short stacking energy: -338.301
Base-Backbone interact. energy: -0.048
local terms energy: -363.536893
where:
bonds (distance) C4'-P energy: -75.485
bonds (distance) P-C4' energy: -68.286
flat angles C4'-P-C4' energy: -77.080
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -89.857
Dist. restrs. and SS energy: -212.400 (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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1416.656475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.656475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.056475 (E_RNA)
where:
Base-Base interactions energy: -851.287
where: short stacking energy: -335.823
Base-Backbone interact. energy: -1.146
local terms energy: -353.622989
where:
bonds (distance) C4'-P energy: -53.269
bonds (distance) P-C4' energy: -74.126
flat angles C4'-P-C4' energy: -84.749
flat angles P-C4'-P energy: -54.274
tors. eta vs tors. theta energy: -87.205
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1362.459967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.459967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.259967 (E_RNA)
where:
Base-Base interactions energy: -836.010
where: short stacking energy: -307.554
Base-Backbone interact. energy: 2.784
local terms energy: -315.034232
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -61.248
flat angles C4'-P-C4' energy: -69.920
flat angles P-C4'-P energy: -45.236
tors. eta vs tors. theta energy: -78.805
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1339.997245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.997245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.797245 (E_RNA)
where:
Base-Base interactions energy: -775.174
where: short stacking energy: -319.695
Base-Backbone interact. energy: -2.441
local terms energy: -357.182180
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -70.442
flat angles C4'-P-C4' energy: -73.216
flat angles P-C4'-P energy: -51.204
tors. eta vs tors. theta energy: -86.344
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1204.005046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.005046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.405046 (E_RNA)
where:
Base-Base interactions energy: -688.797
where: short stacking energy: -282.094
Base-Backbone interact. energy: -0.630
local terms energy: -303.978216
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -59.829
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -57.802
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1187.616512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.616512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.816512 (E_RNA)
where:
Base-Base interactions energy: -694.805
where: short stacking energy: -288.275
Base-Backbone interact. energy: 3.148
local terms energy: -296.159336
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -62.349
flat angles C4'-P-C4' energy: -61.854
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -66.521
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1190.813566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.813566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.213566 (E_RNA)
where:
Base-Base interactions energy: -704.190
where: short stacking energy: -283.194
Base-Backbone interact. energy: -1.842
local terms energy: -283.181047
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -71.448
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -57.439
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1043.949776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.949776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.549776 (E_RNA)
where:
Base-Base interactions energy: -590.209
where: short stacking energy: -215.889
Base-Backbone interact. energy: -4.069
local terms energy: -255.270935
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -52.559
flat angles C4'-P-C4' energy: -68.148
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -43.187
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1001.780861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.780861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.980861 (E_RNA)
where:
Base-Base interactions energy: -556.680
where: short stacking energy: -214.848
Base-Backbone interact. energy: 0.034
local terms energy: -263.334574
where:
bonds (distance) C4'-P energy: -43.998
bonds (distance) P-C4' energy: -64.472
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -45.894
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1490.851293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.851293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.051293 (E_RNA)
where:
Base-Base interactions energy: -905.978
where: short stacking energy: -374.498
Base-Backbone interact. energy: -2.350
local terms energy: -373.723879
where:
bonds (distance) C4'-P energy: -72.292
bonds (distance) P-C4' energy: -70.725
flat angles C4'-P-C4' energy: -83.803
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -103.466
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1449.146468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.146468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.146468 (E_RNA)
where:
Base-Base interactions energy: -888.769
where: short stacking energy: -345.631
Base-Backbone interact. energy: 2.355
local terms energy: -346.733083
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -83.080
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -87.569
Dist. restrs. and SS energy: -216.000 (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: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1414.906031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.906031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.706031 (E_RNA)
where:
Base-Base interactions energy: -826.380
where: short stacking energy: -331.955
Base-Backbone interact. energy: -1.763
local terms energy: -372.563584
where:
bonds (distance) C4'-P energy: -69.039
bonds (distance) P-C4' energy: -74.151
flat angles C4'-P-C4' energy: -76.571
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -93.317
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1382.895375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.895375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.695375 (E_RNA)
where:
Base-Base interactions energy: -829.120
where: short stacking energy: -323.671
Base-Backbone interact. energy: -2.554
local terms energy: -337.020888
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -63.373
flat angles C4'-P-C4' energy: -82.612
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -90.125
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1328.270076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.270076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.870076 (E_RNA)
where:
Base-Base interactions energy: -776.367
where: short stacking energy: -309.034
Base-Backbone interact. energy: -1.852
local terms energy: -346.650651
where:
bonds (distance) C4'-P energy: -70.739
bonds (distance) P-C4' energy: -66.855
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -90.821
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1203.427389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.427389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.827389 (E_RNA)
where:
Base-Base interactions energy: -700.073
where: short stacking energy: -285.350
Base-Backbone interact. energy: -2.895
local terms energy: -298.859424
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -68.793
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: -72.031
Dist. restrs. and SS energy: -201.600 (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: 481
Temperature: 1.200000
Total energy: -1161.966797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.966797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.766797 (E_RNA)
where:
Base-Base interactions energy: -664.201
where: short stacking energy: -283.260
Base-Backbone interact. energy: -2.834
local terms energy: -280.731626
where:
bonds (distance) C4'-P energy: -56.158
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -64.521
Dist. restrs. and SS energy: -214.200 (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: 481
Temperature: 1.250000
Total energy: -1187.170713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.170713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.570713 (E_RNA)
where:
Base-Base interactions energy: -701.867
where: short stacking energy: -269.834
Base-Backbone interact. energy: 2.646
local terms energy: -286.349498
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -53.399
flat angles C4'-P-C4' energy: -68.408
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -67.756
Dist. restrs. and SS energy: -201.600 (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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1033.526499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.526499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.726499 (E_RNA)
where:
Base-Base interactions energy: -585.983
where: short stacking energy: -222.807
Base-Backbone interact. energy: 0.292
local terms energy: -257.036035
where:
bonds (distance) C4'-P energy: -65.879
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -44.843
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -992.587860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.587860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.987860 (E_RNA)
where:
Base-Base interactions energy: -550.376
where: short stacking energy: -217.408
Base-Backbone interact. energy: -1.861
local terms energy: -256.750282
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -60.758
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1477.550585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.550585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.750585 (E_RNA)
where:
Base-Base interactions energy: -865.819
where: short stacking energy: -355.219
Base-Backbone interact. energy: -1.433
local terms energy: -392.498831
where:
bonds (distance) C4'-P energy: -73.267
bonds (distance) P-C4' energy: -79.337
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: -100.026
Dist. restrs. and SS energy: -217.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1466.315637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.315637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.915637 (E_RNA)
where:
Base-Base interactions energy: -896.733
where: short stacking energy: -347.395
Base-Backbone interact. energy: -2.721
local terms energy: -363.461575
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -72.962
flat angles C4'-P-C4' energy: -72.699
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -99.750
Dist. restrs. and SS energy: -203.400 (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: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1431.717034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.717034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.517034 (E_RNA)
where:
Base-Base interactions energy: -850.365
where: short stacking energy: -333.720
Base-Backbone interact. energy: -1.639
local terms energy: -365.513439
where:
bonds (distance) C4'-P energy: -73.857
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -70.022
flat angles P-C4'-P energy: -62.489
tors. eta vs tors. theta energy: -88.635
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1356.647410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.647410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.247410 (E_RNA)
where:
Base-Base interactions energy: -806.896
where: short stacking energy: -314.390
Base-Backbone interact. energy: -3.415
local terms energy: -333.935965
where:
bonds (distance) C4'-P energy: -62.413
bonds (distance) P-C4' energy: -68.714
flat angles C4'-P-C4' energy: -76.686
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -83.285
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1308.348645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.348645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.548645 (E_RNA)
where:
Base-Base interactions energy: -776.693
where: short stacking energy: -302.102
Base-Backbone interact. energy: -3.164
local terms energy: -319.691327
where:
bonds (distance) C4'-P energy: -61.535
bonds (distance) P-C4' energy: -58.786
flat angles C4'-P-C4' energy: -81.131
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -78.197
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1207.266785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.266785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.466785 (E_RNA)
where:
Base-Base interactions energy: -691.155
where: short stacking energy: -280.298
Base-Backbone interact. energy: -1.376
local terms energy: -314.936252
where:
bonds (distance) C4'-P energy: -62.178
bonds (distance) P-C4' energy: -65.956
flat angles C4'-P-C4' energy: -69.710
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -79.363
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1273.661322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.661322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.061322 (E_RNA)
where:
Base-Base interactions energy: -768.510
where: short stacking energy: -304.594
Base-Backbone interact. energy: 0.659
local terms energy: -304.209984
where:
bonds (distance) C4'-P energy: -55.022
bonds (distance) P-C4' energy: -60.928
flat angles C4'-P-C4' energy: -69.190
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -74.488
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1131.620671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.620671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.620671 (E_RNA)
where:
Base-Base interactions energy: -650.227
where: short stacking energy: -259.583
Base-Backbone interact. energy: -1.432
local terms energy: -272.962485
where:
bonds (distance) C4'-P energy: -63.783
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -70.073
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -52.975
Dist. restrs. and SS energy: -207.000 (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: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1044.968453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.968453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.168453 (E_RNA)
where:
Base-Base interactions energy: -590.481
where: short stacking energy: -238.905
Base-Backbone interact. energy: 1.625
local terms energy: -265.312833
where:
bonds (distance) C4'-P energy: -62.316
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -32.270
tors. eta vs tors. theta energy: -46.315
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -973.312128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.312128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.712128 (E_RNA)
where:
Base-Base interactions energy: -534.178
where: short stacking energy: -216.792
Base-Backbone interact. energy: -1.036
local terms energy: -263.497475
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -49.142
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -51.671
Dist. restrs. and SS energy: -174.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1454.042658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.042658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.242658 (E_RNA)
where:
Base-Base interactions energy: -873.987
where: short stacking energy: -342.528
Base-Backbone interact. energy: -1.214
local terms energy: -361.041721
where:
bonds (distance) C4'-P energy: -76.703
bonds (distance) P-C4' energy: -76.392
flat angles C4'-P-C4' energy: -68.426
flat angles P-C4'-P energy: -53.509
tors. eta vs tors. theta energy: -86.012
Dist. restrs. and SS energy: -217.800 (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: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1460.292160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.292160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.492160 (E_RNA)
where:
Base-Base interactions energy: -879.950
where: short stacking energy: -338.582
Base-Backbone interact. energy: -3.525
local terms energy: -368.018051
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -81.178
flat angles C4'-P-C4' energy: -79.464
flat angles P-C4'-P energy: -49.267
tors. eta vs tors. theta energy: -91.575
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. 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: -1435.824084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.824084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.824084 (E_RNA)
where:
Base-Base interactions energy: -877.232
where: short stacking energy: -348.821
Base-Backbone interact. energy: -1.480
local terms energy: -350.111527
where:
bonds (distance) C4'-P energy: -69.335
bonds (distance) P-C4' energy: -66.834
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -98.448
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1347.886838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.886838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.286838 (E_RNA)
where:
Base-Base interactions energy: -786.888
where: short stacking energy: -309.247
Base-Backbone interact. energy: -2.876
local terms energy: -347.522353
where:
bonds (distance) C4'-P energy: -70.343
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -75.090
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -84.742
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1336.648237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.648237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.448237 (E_RNA)
where:
Base-Base interactions energy: -781.850
where: short stacking energy: -311.945
Base-Backbone interact. energy: -2.263
local terms energy: -347.334550
where:
bonds (distance) C4'-P energy: -69.897
bonds (distance) P-C4' energy: -74.628
flat angles C4'-P-C4' energy: -72.255
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -86.869
Dist. restrs. and SS energy: -205.200 (S_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: 483
Temperature: 1.150000
Total energy: -1288.106929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.106929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.506929 (E_RNA)
where:
Base-Base interactions energy: -756.680
where: short stacking energy: -315.911
Base-Backbone interact. energy: 3.256
local terms energy: -333.082476
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -63.834
flat angles C4'-P-C4' energy: -76.749
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: -82.182
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1187.648558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.648558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.048558 (E_RNA)
where:
Base-Base interactions energy: -693.837
where: short stacking energy: -281.865
Base-Backbone interact. energy: 7.596
local terms energy: -308.807141
where:
bonds (distance) C4'-P energy: -65.099
bonds (distance) P-C4' energy: -55.770
flat angles C4'-P-C4' energy: -71.045
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -73.912
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1109.795714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.795714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.995714 (E_RNA)
where:
Base-Base interactions energy: -644.470
where: short stacking energy: -258.871
Base-Backbone interact. energy: 2.202
local terms energy: -267.727516
where:
bonds (distance) C4'-P energy: -58.616
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -50.991
flat angles P-C4'-P energy: -36.528
tors. eta vs tors. theta energy: -59.534
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1055.568404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.568404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.568404 (E_RNA)
where:
Base-Base interactions energy: -597.418
where: short stacking energy: -235.467
Base-Backbone interact. energy: -2.031
local terms energy: -258.119371
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -56.364
flat angles C4'-P-C4' energy: -61.044
flat angles P-C4'-P energy: -32.171
tors. eta vs tors. theta energy: -52.452
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1012.659916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.659916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.859916 (E_RNA)
where:
Base-Base interactions energy: -564.036
where: short stacking energy: -245.936
Base-Backbone interact. energy: 0.283
local terms energy: -267.107404
where:
bonds (distance) C4'-P energy: -58.839
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -71.799
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -55.752
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1510.530730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.530730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.730730 (E_RNA)
where:
Base-Base interactions energy: -912.815
where: short stacking energy: -368.356
Base-Backbone interact. energy: -1.392
local terms energy: -387.523392
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -72.189
flat angles C4'-P-C4' energy: -80.417
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -93.295
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1443.139306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.139306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.139306 (E_RNA)
where:
Base-Base interactions energy: -843.834
where: short stacking energy: -351.694
Base-Backbone interact. energy: -4.150
local terms energy: -379.155974
where:
bonds (distance) C4'-P energy: -68.919
bonds (distance) P-C4' energy: -71.806
flat angles C4'-P-C4' energy: -86.371
flat angles P-C4'-P energy: -58.412
tors. eta vs tors. theta energy: -93.647
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1420.304357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.304357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.104357 (E_RNA)
where:
Base-Base interactions energy: -861.246
where: short stacking energy: -339.555
Base-Backbone interact. energy: 0.895
local terms energy: -354.753493
where:
bonds (distance) C4'-P energy: -67.795
bonds (distance) P-C4' energy: -70.526
flat angles C4'-P-C4' energy: -76.034
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -89.330
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1379.117996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.117996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.917996 (E_RNA)
where:
Base-Base interactions energy: -808.606
where: short stacking energy: -320.972
Base-Backbone interact. energy: -2.769
local terms energy: -353.543255
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -67.245
flat angles C4'-P-C4' energy: -77.040
flat angles P-C4'-P energy: -56.579
tors. eta vs tors. theta energy: -90.359
Dist. restrs. and SS energy: -214.200 (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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1333.932918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.932918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.932918 (E_RNA)
where:
Base-Base interactions energy: -818.685
where: short stacking energy: -316.952
Base-Backbone interact. energy: -1.426
local terms energy: -306.822205
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -59.754
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -79.618
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1276.230611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.230611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.630611 (E_RNA)
where:
Base-Base interactions energy: -752.647
where: short stacking energy: -296.103
Base-Backbone interact. energy: -2.791
local terms energy: -319.192035
where:
bonds (distance) C4'-P energy: -68.191
bonds (distance) P-C4' energy: -69.279
flat angles C4'-P-C4' energy: -68.995
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -69.974
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1199.288741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.288741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.888741 (E_RNA)
where:
Base-Base interactions energy: -705.646
where: short stacking energy: -287.697
Base-Backbone interact. energy: -1.515
local terms energy: -297.727107
where:
bonds (distance) C4'-P energy: -52.071
bonds (distance) P-C4' energy: -72.870
flat angles C4'-P-C4' energy: -59.127
flat angles P-C4'-P energy: -43.699
tors. eta vs tors. theta energy: -69.961
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1157.004493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.004493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.404493 (E_RNA)
where:
Base-Base interactions energy: -652.032
where: short stacking energy: -253.592
Base-Backbone interact. energy: -1.047
local terms energy: -293.325914
where:
bonds (distance) C4'-P energy: -55.028
bonds (distance) P-C4' energy: -66.859
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -58.819
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1092.230782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.230782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.030782 (E_RNA)
where:
Base-Base interactions energy: -620.080
where: short stacking energy: -247.074
Base-Backbone interact. energy: 0.610
local terms energy: -276.560964
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -48.907
tors. eta vs tors. theta energy: -48.556
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -983.085034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.085034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.485034 (E_RNA)
where:
Base-Base interactions energy: -545.248
where: short stacking energy: -204.809
Base-Backbone interact. energy: -1.081
local terms energy: -253.156843
where:
bonds (distance) C4'-P energy: -64.057
bonds (distance) P-C4' energy: -63.002
flat angles C4'-P-C4' energy: -57.321
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -44.087
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1519.200861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.200861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.200861 (E_RNA)
where:
Base-Base interactions energy: -917.600
where: short stacking energy: -355.555
Base-Backbone interact. energy: -3.610
local terms energy: -381.990041
where:
bonds (distance) C4'-P energy: -68.815
bonds (distance) P-C4' energy: -70.494
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: -99.580
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1431.024302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.024302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.224302 (E_RNA)
where:
Base-Base interactions energy: -854.843
where: short stacking energy: -337.614
Base-Backbone interact. energy: -0.424
local terms energy: -366.957624
where:
bonds (distance) C4'-P energy: -72.253
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -78.073
flat angles P-C4'-P energy: -48.519
tors. eta vs tors. theta energy: -94.074
Dist. restrs. and SS energy: -208.800 (S_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: 485
Temperature: 1.000000
Total energy: -1418.377987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.377987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.777987 (E_RNA)
where:
Base-Base interactions energy: -833.962
where: short stacking energy: -336.865
Base-Backbone interact. energy: -2.623
local terms energy: -362.193288
where:
bonds (distance) C4'-P energy: -69.927
bonds (distance) P-C4' energy: -72.697
flat angles C4'-P-C4' energy: -82.070
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -87.350
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1329.255983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.255983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.655983 (E_RNA)
where:
Base-Base interactions energy: -777.264
where: short stacking energy: -323.335
Base-Backbone interact. energy: -2.543
local terms energy: -347.849332
where:
bonds (distance) C4'-P energy: -67.770
bonds (distance) P-C4' energy: -73.611
flat angles C4'-P-C4' energy: -78.296
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -81.598
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1314.563530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.563530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.163530 (E_RNA)
where:
Base-Base interactions energy: -774.469
where: short stacking energy: -307.383
Base-Backbone interact. energy: -1.347
local terms energy: -326.346693
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1276.836400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.836400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.636400 (E_RNA)
where:
Base-Base interactions energy: -752.948
where: short stacking energy: -292.272
Base-Backbone interact. energy: 2.525
local terms energy: -330.213776
where:
bonds (distance) C4'-P energy: -67.025
bonds (distance) P-C4' energy: -64.256
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1174.619309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.619309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.619309 (E_RNA)
where:
Base-Base interactions energy: -702.079
where: short stacking energy: -273.758
Base-Backbone interact. energy: 2.962
local terms energy: -277.502392
where:
bonds (distance) C4'-P energy: -50.295
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -67.215
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -64.763
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1186.819513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.219513 (E_RNA)
where:
Base-Base interactions energy: -675.778
where: short stacking energy: -286.797
Base-Backbone interact. energy: 0.010
local terms energy: -300.451815
where:
bonds (distance) C4'-P energy: -62.989
bonds (distance) P-C4' energy: -67.394
flat angles C4'-P-C4' energy: -66.530
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -67.645
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1086.126361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.126361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.126361 (E_RNA)
where:
Base-Base interactions energy: -630.746
where: short stacking energy: -250.603
Base-Backbone interact. energy: 9.068
local terms energy: -266.447940
where:
bonds (distance) C4'-P energy: -60.218
bonds (distance) P-C4' energy: -55.107
flat angles C4'-P-C4' energy: -57.351
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -51.358
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -985.758332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.758332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.958332 (E_RNA)
where:
Base-Base interactions energy: -557.939
where: short stacking energy: -234.057
Base-Backbone interact. energy: -0.664
local terms energy: -245.355200
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -45.106
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1519.201660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.201660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.401660 (E_RNA)
where:
Base-Base interactions energy: -934.510
where: short stacking energy: -352.092
Base-Backbone interact. energy: -0.046
local terms energy: -375.846033
where:
bonds (distance) C4'-P energy: -76.392
bonds (distance) P-C4' energy: -74.656
flat angles C4'-P-C4' energy: -79.746
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -90.442
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1446.451850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.451850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.451850 (E_RNA)
where:
Base-Base interactions energy: -876.535
where: short stacking energy: -340.725
Base-Backbone interact. energy: -1.841
local terms energy: -361.075388
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -73.567
flat angles C4'-P-C4' energy: -77.830
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -88.776
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1411.432387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.432387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.432387 (E_RNA)
where:
Base-Base interactions energy: -855.584
where: short stacking energy: -350.637
Base-Backbone interact. energy: -1.862
local terms energy: -337.985688
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -65.336
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -97.239
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1346.151865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.151865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.951865 (E_RNA)
where:
Base-Base interactions energy: -799.136
where: short stacking energy: -323.989
Base-Backbone interact. energy: -3.011
local terms energy: -338.804712
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -50.782
tors. eta vs tors. theta energy: -85.744
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1326.527206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.527206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.727206 (E_RNA)
where:
Base-Base interactions energy: -778.452
where: short stacking energy: -289.480
Base-Backbone interact. energy: -0.204
local terms energy: -339.071406
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -73.684
flat angles C4'-P-C4' energy: -75.891
flat angles P-C4'-P energy: -49.822
tors. eta vs tors. theta energy: -76.120
Dist. restrs. and SS energy: -208.800 (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: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1305.949449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.949449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.949449 (E_RNA)
where:
Base-Base interactions energy: -765.140
where: short stacking energy: -295.126
Base-Backbone interact. energy: 1.177
local terms energy: -343.986790
where:
bonds (distance) C4'-P energy: -71.519
bonds (distance) P-C4' energy: -72.199
flat angles C4'-P-C4' energy: -74.702
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -80.310
Dist. restrs. and SS energy: -198.000 (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: 486
Temperature: 1.200000
Total energy: -1210.914372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.914372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.514372 (E_RNA)
where:
Base-Base interactions energy: -701.642
where: short stacking energy: -306.322
Base-Backbone interact. energy: -0.935
local terms energy: -313.937789
where:
bonds (distance) C4'-P energy: -66.666
bonds (distance) P-C4' energy: -65.994
flat angles C4'-P-C4' energy: -65.207
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -69.274
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1159.962210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.962210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.762210 (E_RNA)
where:
Base-Base interactions energy: -660.220
where: short stacking energy: -263.873
Base-Backbone interact. energy: -0.047
local terms energy: -294.495136
where:
bonds (distance) C4'-P energy: -57.290
bonds (distance) P-C4' energy: -61.465
flat angles C4'-P-C4' energy: -71.626
flat angles P-C4'-P energy: -44.447
tors. eta vs tors. theta energy: -59.668
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1107.751894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.751894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.351894 (E_RNA)
where:
Base-Base interactions energy: -635.065
where: short stacking energy: -267.933
Base-Backbone interact. energy: -1.032
local terms energy: -277.254567
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -68.985
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -58.831
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -974.640422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.640422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.240422 (E_RNA)
where:
Base-Base interactions energy: -535.477
where: short stacking energy: -195.768
Base-Backbone interact. energy: -1.183
local terms energy: -252.580329
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -64.868
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -35.532
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1527.518848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.318848 (E_RNA)
where:
Base-Base interactions energy: -942.772
where: short stacking energy: -356.741
Base-Backbone interact. energy: -3.138
local terms energy: -367.409302
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -67.000
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -91.920
Dist. restrs. and SS energy: -214.200 (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: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1444.762360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.762360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.562360 (E_RNA)
where:
Base-Base interactions energy: -859.316
where: short stacking energy: -347.055
Base-Backbone interact. energy: 0.589
local terms energy: -380.835307
where:
bonds (distance) C4'-P energy: -73.124
bonds (distance) P-C4' energy: -74.880
flat angles C4'-P-C4' energy: -85.560
flat angles P-C4'-P energy: -58.358
tors. eta vs tors. theta energy: -88.913
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1414.154905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.154905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.554905 (E_RNA)
where:
Base-Base interactions energy: -847.812
where: short stacking energy: -342.275
Base-Backbone interact. energy: -2.936
local terms energy: -343.806825
where:
bonds (distance) C4'-P energy: -74.649
bonds (distance) P-C4' energy: -68.977
flat angles C4'-P-C4' energy: -75.495
flat angles P-C4'-P energy: -41.386
tors. eta vs tors. theta energy: -83.300
Dist. restrs. and SS energy: -219.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1390.975789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.975789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.775789 (E_RNA)
where:
Base-Base interactions energy: -831.036
where: short stacking energy: -334.485
Base-Backbone interact. energy: -0.262
local terms energy: -354.477232
where:
bonds (distance) C4'-P energy: -77.626
bonds (distance) P-C4' energy: -67.957
flat angles C4'-P-C4' energy: -83.687
flat angles P-C4'-P energy: -40.571
tors. eta vs tors. theta energy: -84.636
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1313.095722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.095722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.895722 (E_RNA)
where:
Base-Base interactions energy: -761.401
where: short stacking energy: -295.083
Base-Backbone interact. energy: -1.438
local terms energy: -336.056045
where:
bonds (distance) C4'-P energy: -72.489
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -76.189
flat angles P-C4'-P energy: -48.356
tors. eta vs tors. theta energy: -76.245
Dist. restrs. and SS energy: -214.200 (S_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: 487
Temperature: 1.150000
Total energy: -1279.307052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.307052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.907052 (E_RNA)
where:
Base-Base interactions energy: -766.901
where: short stacking energy: -279.979
Base-Backbone interact. energy: -2.821
local terms energy: -306.185328
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -64.143
flat angles C4'-P-C4' energy: -66.870
flat angles P-C4'-P energy: -51.211
tors. eta vs tors. theta energy: -72.954
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1221.403481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.403481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.403481 (E_RNA)
where:
Base-Base interactions energy: -695.751
where: short stacking energy: -294.452
Base-Backbone interact. energy: -2.375
local terms energy: -325.277559
where:
bonds (distance) C4'-P energy: -56.904
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -78.125
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -88.262
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1175.774592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.774592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.174592 (E_RNA)
where:
Base-Base interactions energy: -668.919
where: short stacking energy: -263.055
Base-Backbone interact. energy: -0.152
local terms energy: -296.103565
where:
bonds (distance) C4'-P energy: -60.785
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -71.270
flat angles P-C4'-P energy: -39.907
tors. eta vs tors. theta energy: -69.135
Dist. restrs. and SS energy: -210.600 (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: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1095.503153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.503153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.903153 (E_RNA)
where:
Base-Base interactions energy: -619.590
where: short stacking energy: -246.744
Base-Backbone interact. energy: -1.164
local terms energy: -273.149634
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -39.318
tors. eta vs tors. theta energy: -62.434
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1009.125397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.125397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.725397 (E_RNA)
where:
Base-Base interactions energy: -565.035
where: short stacking energy: -215.703
Base-Backbone interact. energy: -0.251
local terms energy: -258.438931
where:
bonds (distance) C4'-P energy: -50.120
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -40.587
tors. eta vs tors. theta energy: -54.008
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1548.949694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.949694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.949694 (E_RNA)
where:
Base-Base interactions energy: -953.879
where: short stacking energy: -358.511
Base-Backbone interact. energy: -3.914
local terms energy: -375.155985
where:
bonds (distance) C4'-P energy: -69.762
bonds (distance) P-C4' energy: -72.940
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -52.677
tors. eta vs tors. theta energy: -95.681
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1428.194430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.194430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.194430 (E_RNA)
where:
Base-Base interactions energy: -854.917
where: short stacking energy: -344.758
Base-Backbone interact. energy: -1.654
local terms energy: -364.622912
where:
bonds (distance) C4'-P energy: -74.772
bonds (distance) P-C4' energy: -68.495
flat angles C4'-P-C4' energy: -84.732
flat angles P-C4'-P energy: -44.002
tors. eta vs tors. theta energy: -92.622
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1396.871476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.871476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.271476 (E_RNA)
where:
Base-Base interactions energy: -847.745
where: short stacking energy: -332.322
Base-Backbone interact. energy: 0.460
local terms energy: -338.986464
where:
bonds (distance) C4'-P energy: -62.013
bonds (distance) P-C4' energy: -67.749
flat angles C4'-P-C4' energy: -74.347
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -90.932
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1377.055288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.055288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.655288 (E_RNA)
where:
Base-Base interactions energy: -838.931
where: short stacking energy: -340.224
Base-Backbone interact. energy: -1.366
local terms energy: -333.358093
where:
bonds (distance) C4'-P energy: -64.962
bonds (distance) P-C4' energy: -71.237
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -44.080
tors. eta vs tors. theta energy: -89.739
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1321.794487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.794487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.794487 (E_RNA)
where:
Base-Base interactions energy: -784.516
where: short stacking energy: -294.782
Base-Backbone interact. energy: -1.333
local terms energy: -319.945651
where:
bonds (distance) C4'-P energy: -69.013
bonds (distance) P-C4' energy: -73.347
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -52.187
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1322.034251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.034251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.234251 (E_RNA)
where:
Base-Base interactions energy: -796.841
where: short stacking energy: -297.284
Base-Backbone interact. energy: 1.692
local terms energy: -327.085088
where:
bonds (distance) C4'-P energy: -66.470
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -76.954
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -78.544
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1165.769417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.769417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.169417 (E_RNA)
where:
Base-Base interactions energy: -665.908
where: short stacking energy: -264.939
Base-Backbone interact. energy: -2.123
local terms energy: -287.138310
where:
bonds (distance) C4'-P energy: -65.316
bonds (distance) P-C4' energy: -64.167
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -65.528
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1158.874368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.874368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.074368 (E_RNA)
where:
Base-Base interactions energy: -668.035
where: short stacking energy: -265.934
Base-Backbone interact. energy: -1.132
local terms energy: -289.906924
where:
bonds (distance) C4'-P energy: -66.155
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -69.297
flat angles P-C4'-P energy: -35.907
tors. eta vs tors. theta energy: -63.611
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1094.886117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.886117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.286117 (E_RNA)
where:
Base-Base interactions energy: -638.168
where: short stacking energy: -261.902
Base-Backbone interact. energy: -0.943
local terms energy: -263.175234
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -56.096
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -62.373
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -1010.699720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.699720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.499720 (E_RNA)
where:
Base-Base interactions energy: -565.110
where: short stacking energy: -229.744
Base-Backbone interact. energy: 0.080
local terms energy: -267.470489
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -63.770
flat angles C4'-P-C4' energy: -65.783
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -42.401
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1534.872859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.872859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.272859 (E_RNA)
where:
Base-Base interactions energy: -943.474
where: short stacking energy: -336.834
Base-Backbone interact. energy: -4.113
local terms energy: -376.685799
where:
bonds (distance) C4'-P energy: -73.713
bonds (distance) P-C4' energy: -82.846
flat angles C4'-P-C4' energy: -75.431
flat angles P-C4'-P energy: -56.424
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1436.554186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.554186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.354186 (E_RNA)
where:
Base-Base interactions energy: -858.303
where: short stacking energy: -335.983
Base-Backbone interact. energy: -0.629
local terms energy: -372.422658
where:
bonds (distance) C4'-P energy: -75.427
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -82.157
flat angles P-C4'-P energy: -57.985
tors. eta vs tors. theta energy: -91.421
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1393.330425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.330425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.530425 (E_RNA)
where:
Base-Base interactions energy: -825.806
where: short stacking energy: -351.071
Base-Backbone interact. energy: -0.464
local terms energy: -349.260614
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -56.128
tors. eta vs tors. theta energy: -93.072
Dist. restrs. and SS energy: -217.800 (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: 489
Temperature: 1.050000
Total energy: -1387.606432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.606432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.606432 (E_RNA)
where:
Base-Base interactions energy: -829.672
where: short stacking energy: -317.851
Base-Backbone interact. energy: 1.217
local terms energy: -352.151533
where:
bonds (distance) C4'-P energy: -60.127
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -80.548
flat angles P-C4'-P energy: -60.211
tors. eta vs tors. theta energy: -86.961
Dist. restrs. and SS energy: -207.000 (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: 489
Temperature: 1.100000
Total energy: -1344.983597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.983597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.983597 (E_RNA)
where:
Base-Base interactions energy: -800.386
where: short stacking energy: -315.382
Base-Backbone interact. energy: -1.158
local terms energy: -327.440240
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -65.380
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -45.744
tors. eta vs tors. theta energy: -83.192
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1262.692351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.692351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.492351 (E_RNA)
where:
Base-Base interactions energy: -749.616
where: short stacking energy: -290.392
Base-Backbone interact. energy: 2.741
local terms energy: -319.617146
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -72.987
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1151.682767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.682767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.082767 (E_RNA)
where:
Base-Base interactions energy: -646.435
where: short stacking energy: -266.435
Base-Backbone interact. energy: -2.802
local terms energy: -291.845817
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -67.807
flat angles P-C4'-P energy: -45.598
tors. eta vs tors. theta energy: -59.916
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1155.979345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.979345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.779345 (E_RNA)
where:
Base-Base interactions energy: -681.542
where: short stacking energy: -262.269
Base-Backbone interact. energy: -1.207
local terms energy: -277.030646
where:
bonds (distance) C4'-P energy: -61.263
bonds (distance) P-C4' energy: -60.259
flat angles C4'-P-C4' energy: -70.250
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -61.324
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1132.091328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.091328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.691328 (E_RNA)
where:
Base-Base interactions energy: -668.215
where: short stacking energy: -271.355
Base-Backbone interact. energy: -0.456
local terms energy: -269.020333
where:
bonds (distance) C4'-P energy: -53.531
bonds (distance) P-C4' energy: -54.981
flat angles C4'-P-C4' energy: -49.765
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -70.698
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -994.331185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.331185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.531185 (E_RNA)
where:
Base-Base interactions energy: -563.740
where: short stacking energy: -226.420
Base-Backbone interact. energy: 0.357
local terms energy: -249.147865
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -59.264
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1531.386015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.386015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.386015 (E_RNA)
where:
Base-Base interactions energy: -956.515
where: short stacking energy: -361.991
Base-Backbone interact. energy: -3.502
local terms energy: -355.369596
where:
bonds (distance) C4'-P energy: -69.025
bonds (distance) P-C4' energy: -72.589
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -89.525
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1439.023888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.023888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.023888 (E_RNA)
where:
Base-Base interactions energy: -875.558
where: short stacking energy: -342.208
Base-Backbone interact. energy: 0.143
local terms energy: -356.608789
where:
bonds (distance) C4'-P energy: -68.823
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -78.755
flat angles P-C4'-P energy: -50.848
tors. eta vs tors. theta energy: -87.595
Dist. restrs. and SS energy: -207.000 (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: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1393.333333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.333333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.533333 (E_RNA)
where:
Base-Base interactions energy: -816.656
where: short stacking energy: -334.296
Base-Backbone interact. energy: -1.360
local terms energy: -357.517148
where:
bonds (distance) C4'-P energy: -73.023
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -78.823
flat angles P-C4'-P energy: -53.429
tors. eta vs tors. theta energy: -93.807
Dist. restrs. and SS energy: -217.800 (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: 490
Temperature: 1.050000
Total energy: -1403.512122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.512122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.112122 (E_RNA)
where:
Base-Base interactions energy: -860.219
where: short stacking energy: -339.054
Base-Backbone interact. energy: -4.399
local terms energy: -335.494940
where:
bonds (distance) C4'-P energy: -58.735
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -72.290
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: -84.615
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1347.419581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.419581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.419581 (E_RNA)
where:
Base-Base interactions energy: -793.064
where: short stacking energy: -306.452
Base-Backbone interact. energy: -2.348
local terms energy: -345.008097
where:
bonds (distance) C4'-P energy: -65.274
bonds (distance) P-C4' energy: -75.031
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -52.175
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1276.865338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.865338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.865338 (E_RNA)
where:
Base-Base interactions energy: -760.544
where: short stacking energy: -290.759
Base-Backbone interact. energy: -2.851
local terms energy: -315.469991
where:
bonds (distance) C4'-P energy: -49.281
bonds (distance) P-C4' energy: -66.002
flat angles C4'-P-C4' energy: -59.666
flat angles P-C4'-P energy: -56.232
tors. eta vs tors. theta energy: -84.289
Dist. restrs. and SS energy: -198.000 (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: 490
Temperature: 1.200000
Total energy: -1199.329279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.329279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.929279 (E_RNA)
where:
Base-Base interactions energy: -685.535
where: short stacking energy: -268.738
Base-Backbone interact. energy: -3.862
local terms energy: -315.532360
where:
bonds (distance) C4'-P energy: -67.561
bonds (distance) P-C4' energy: -65.248
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -78.058
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1150.966391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.966391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.766391 (E_RNA)
where:
Base-Base interactions energy: -661.533
where: short stacking energy: -256.730
Base-Backbone interact. energy: 0.100
local terms energy: -275.333164
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -46.919
tors. eta vs tors. theta energy: -57.293
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1081.250382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.250382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.850382 (E_RNA)
where:
Base-Base interactions energy: -615.117
where: short stacking energy: -262.865
Base-Backbone interact. energy: 1.991
local terms energy: -273.724657
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -62.679
flat angles C4'-P-C4' energy: -62.419
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -59.571
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -977.837664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.837664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.437664 (E_RNA)
where:
Base-Base interactions energy: -534.121
where: short stacking energy: -198.276
Base-Backbone interact. energy: 1.505
local terms energy: -259.821199
where:
bonds (distance) C4'-P energy: -62.879
bonds (distance) P-C4' energy: -68.163
flat angles C4'-P-C4' energy: -67.702
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1519.763537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.763537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.763537 (E_RNA)
where:
Base-Base interactions energy: -925.692
where: short stacking energy: -363.900
Base-Backbone interact. energy: -0.634
local terms energy: -377.437158
where:
bonds (distance) C4'-P energy: -73.819
bonds (distance) P-C4' energy: -74.349
flat angles C4'-P-C4' energy: -81.734
flat angles P-C4'-P energy: -51.451
tors. eta vs tors. theta energy: -96.084
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1426.990444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.990444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.190444 (E_RNA)
where:
Base-Base interactions energy: -863.017
where: short stacking energy: -361.491
Base-Backbone interact. energy: 2.765
local terms energy: -357.938269
where:
bonds (distance) C4'-P energy: -61.616
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -76.838
flat angles P-C4'-P energy: -60.782
tors. eta vs tors. theta energy: -93.580
Dist. restrs. and SS energy: -208.800 (S_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: 491
Temperature: 1.000000
Total energy: -1397.547977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.547977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.547977 (E_RNA)
where:
Base-Base interactions energy: -829.092
where: short stacking energy: -347.473
Base-Backbone interact. energy: 2.405
local terms energy: -363.861126
where:
bonds (distance) C4'-P energy: -67.186
bonds (distance) P-C4' energy: -75.884
flat angles C4'-P-C4' energy: -73.327
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -91.804
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1386.032197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.032197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.032197 (E_RNA)
where:
Base-Base interactions energy: -825.408
where: short stacking energy: -332.715
Base-Backbone interact. energy: 0.542
local terms energy: -354.166652
where:
bonds (distance) C4'-P energy: -71.911
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -72.616
flat angles P-C4'-P energy: -56.041
tors. eta vs tors. theta energy: -86.893
Dist. restrs. and SS energy: -207.000 (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: 491
Temperature: 1.100000
Total energy: -1334.792760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.792760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.792760 (E_RNA)
where:
Base-Base interactions energy: -772.333
where: short stacking energy: -317.465
Base-Backbone interact. energy: -0.689
local terms energy: -354.770813
where:
bonds (distance) C4'-P energy: -79.154
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -74.832
flat angles P-C4'-P energy: -54.468
tors. eta vs tors. theta energy: -77.574
Dist. restrs. and SS energy: -207.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1284.480194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.480194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.880194 (E_RNA)
where:
Base-Base interactions energy: -751.448
where: short stacking energy: -298.335
Base-Backbone interact. energy: -2.783
local terms energy: -328.648926
where:
bonds (distance) C4'-P energy: -68.765
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -67.462
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -83.761
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1189.788158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.788158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.188158 (E_RNA)
where:
Base-Base interactions energy: -696.337
where: short stacking energy: -292.177
Base-Backbone interact. energy: -1.146
local terms energy: -299.705304
where:
bonds (distance) C4'-P energy: -60.608
bonds (distance) P-C4' energy: -59.063
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -83.666
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1151.126224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.126224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.326224 (E_RNA)
where:
Base-Base interactions energy: -645.197
where: short stacking energy: -278.322
Base-Backbone interact. energy: -0.103
local terms energy: -315.026620
where:
bonds (distance) C4'-P energy: -65.709
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -69.411
Dist. restrs. and SS energy: -190.800 (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: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1112.805452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.205452 (E_RNA)
where:
Base-Base interactions energy: -674.957
where: short stacking energy: -267.654
Base-Backbone interact. energy: 0.529
local terms energy: -236.776925
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -61.453
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -52.760
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -993.374674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.374674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.774674 (E_RNA)
where:
Base-Base interactions energy: -535.451
where: short stacking energy: -204.831
Base-Backbone interact. energy: -0.880
local terms energy: -273.443941
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -64.235
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -51.161
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1517.981164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.981164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.581164 (E_RNA)
where:
Base-Base interactions energy: -913.420
where: short stacking energy: -341.121
Base-Backbone interact. energy: -1.476
local terms energy: -390.685292
where:
bonds (distance) C4'-P energy: -75.791
bonds (distance) P-C4' energy: -76.326
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -90.973
Dist. restrs. and SS energy: -212.400 (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: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1455.357816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.357816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.557816 (E_RNA)
where:
Base-Base interactions energy: -883.682
where: short stacking energy: -369.837
Base-Backbone interact. energy: -1.610
local terms energy: -361.266184
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -81.832
flat angles P-C4'-P energy: -50.072
tors. eta vs tors. theta energy: -103.331
Dist. restrs. and SS energy: -208.800 (S_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: 492
Temperature: 1.000000
Total energy: -1414.544365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.544365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.344365 (E_RNA)
where:
Base-Base interactions energy: -868.307
where: short stacking energy: -342.541
Base-Backbone interact. energy: -0.414
local terms energy: -331.622822
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -90.517
Dist. restrs. and SS energy: -214.200 (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: 492
Temperature: 1.050000
Total energy: -1385.977816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.977816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.977816 (E_RNA)
where:
Base-Base interactions energy: -829.435
where: short stacking energy: -332.939
Base-Backbone interact. energy: 0.178
local terms energy: -349.721157
where:
bonds (distance) C4'-P energy: -69.238
bonds (distance) P-C4' energy: -70.712
flat angles C4'-P-C4' energy: -77.335
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -81.758
Dist. restrs. and SS energy: -207.000 (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: 492
Temperature: 1.100000
Total energy: -1335.271407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.271407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.871407 (E_RNA)
where:
Base-Base interactions energy: -792.028
where: short stacking energy: -302.590
Base-Backbone interact. energy: 1.303
local terms energy: -332.145908
where:
bonds (distance) C4'-P energy: -67.662
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -79.057
Dist. restrs. and SS energy: -212.400 (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: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1262.193634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.193634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.393634 (E_RNA)
where:
Base-Base interactions energy: -752.133
where: short stacking energy: -300.279
Base-Backbone interact. energy: -3.060
local terms energy: -307.200989
where:
bonds (distance) C4'-P energy: -62.061
bonds (distance) P-C4' energy: -54.593
flat angles C4'-P-C4' energy: -67.097
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -70.911
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1166.157459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.157459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.157459 (E_RNA)
where:
Base-Base interactions energy: -672.992
where: short stacking energy: -274.887
Base-Backbone interact. energy: 2.170
local terms energy: -297.335453
where:
bonds (distance) C4'-P energy: -68.077
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -71.431
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1132.087886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.087886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.487886 (E_RNA)
where:
Base-Base interactions energy: -633.456
where: short stacking energy: -267.528
Base-Backbone interact. energy: 2.022
local terms energy: -308.053144
where:
bonds (distance) C4'-P energy: -65.235
bonds (distance) P-C4' energy: -63.983
flat angles C4'-P-C4' energy: -66.939
flat angles P-C4'-P energy: -38.256
tors. eta vs tors. theta energy: -73.639
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1116.949091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.949091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.549091 (E_RNA)
where:
Base-Base interactions energy: -632.069
where: short stacking energy: -239.483
Base-Backbone interact. energy: -0.391
local terms energy: -272.088695
where:
bonds (distance) C4'-P energy: -60.337
bonds (distance) P-C4' energy: -55.149
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: -50.250
Dist. restrs. and SS energy: -212.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -994.207120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.207120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.007120 (E_RNA)
where:
Base-Base interactions energy: -546.937
where: short stacking energy: -221.475
Base-Backbone interact. energy: -2.676
local terms energy: -266.393893
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -72.812
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -57.165
Dist. restrs. and SS energy: -178.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1504.178924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.378924 (E_RNA)
where:
Base-Base interactions energy: -916.520
where: short stacking energy: -343.762
Base-Backbone interact. energy: -2.913
local terms energy: -375.945864
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -65.393
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -56.061
tors. eta vs tors. theta energy: -92.884
Dist. restrs. and SS energy: -208.800 (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: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1435.998257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.998257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.798257 (E_RNA)
where:
Base-Base interactions energy: -853.622
where: short stacking energy: -351.510
Base-Backbone interact. energy: -0.903
local terms energy: -367.272507
where:
bonds (distance) C4'-P energy: -65.374
bonds (distance) P-C4' energy: -77.010
flat angles C4'-P-C4' energy: -75.448
flat angles P-C4'-P energy: -57.164
tors. eta vs tors. theta energy: -92.277
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1418.400185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.400185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.000185 (E_RNA)
where:
Base-Base interactions energy: -872.358
where: short stacking energy: -336.024
Base-Backbone interact. energy: -1.729
local terms energy: -340.913138
where:
bonds (distance) C4'-P energy: -53.070
bonds (distance) P-C4' energy: -66.270
flat angles C4'-P-C4' energy: -80.404
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -96.547
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1400.133731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.133731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.933731 (E_RNA)
where:
Base-Base interactions energy: -863.521
where: short stacking energy: -352.074
Base-Backbone interact. energy: -3.671
local terms energy: -327.741234
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -68.343
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: -97.346
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1358.439210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.439210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.239210 (E_RNA)
where:
Base-Base interactions energy: -808.483
where: short stacking energy: -309.601
Base-Backbone interact. energy: -3.817
local terms energy: -340.938474
where:
bonds (distance) C4'-P energy: -63.167
bonds (distance) P-C4' energy: -63.636
flat angles C4'-P-C4' energy: -76.078
flat angles P-C4'-P energy: -61.381
tors. eta vs tors. theta energy: -76.677
Dist. restrs. and SS energy: -205.200 (S_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: 493
Temperature: 1.150000
Total energy: -1234.890016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.890016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.290016 (E_RNA)
where:
Base-Base interactions energy: -732.021
where: short stacking energy: -272.987
Base-Backbone interact. energy: -2.106
local terms energy: -299.162986
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -66.348
flat angles P-C4'-P energy: -58.273
tors. eta vs tors. theta energy: -67.277
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1200.402852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.402852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.202852 (E_RNA)
where:
Base-Base interactions energy: -703.273
where: short stacking energy: -290.856
Base-Backbone interact. energy: -0.345
local terms energy: -300.584037
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -64.887
flat angles C4'-P-C4' energy: -70.852
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -67.837
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1109.660880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.660880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.660880 (E_RNA)
where:
Base-Base interactions energy: -628.299
where: short stacking energy: -259.713
Base-Backbone interact. energy: -0.763
local terms energy: -282.598857
where:
bonds (distance) C4'-P energy: -52.589
bonds (distance) P-C4' energy: -57.723
flat angles C4'-P-C4' energy: -62.617
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: -198.000 (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: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1095.005495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.005495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.005495 (E_RNA)
where:
Base-Base interactions energy: -640.170
where: short stacking energy: -271.564
Base-Backbone interact. energy: 1.402
local terms energy: -258.238164
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -61.641
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1016.138449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.138449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.338449 (E_RNA)
where:
Base-Base interactions energy: -555.034
where: short stacking energy: -216.817
Base-Backbone interact. energy: -2.434
local terms energy: -276.870215
where:
bonds (distance) C4'-P energy: -58.847
bonds (distance) P-C4' energy: -66.587
flat angles C4'-P-C4' energy: -69.453
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -39.647
Dist. restrs. and SS energy: -181.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1521.027395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.027395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.227395 (E_RNA)
where:
Base-Base interactions energy: -930.261
where: short stacking energy: -343.193
Base-Backbone interact. energy: -2.899
local terms energy: -370.066695
where:
bonds (distance) C4'-P energy: -75.012
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -83.052
flat angles P-C4'-P energy: -59.965
tors. eta vs tors. theta energy: -87.099
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1439.242111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.242111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.842111 (E_RNA)
where:
Base-Base interactions energy: -859.620
where: short stacking energy: -341.291
Base-Backbone interact. energy: -2.208
local terms energy: -365.014622
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -73.677
flat angles C4'-P-C4' energy: -82.953
flat angles P-C4'-P energy: -48.945
tors. eta vs tors. theta energy: -88.549
Dist. restrs. and SS energy: -212.400 (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: 494
Temperature: 1.000000
Total energy: -1421.380716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.380716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.780716 (E_RNA)
where:
Base-Base interactions energy: -855.562
where: short stacking energy: -348.303
Base-Backbone interact. energy: -3.237
local terms energy: -360.982052
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -79.503
flat angles C4'-P-C4' energy: -71.455
flat angles P-C4'-P energy: -49.055
tors. eta vs tors. theta energy: -92.731
Dist. restrs. and SS energy: -201.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1403.213312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.213312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.813312 (E_RNA)
where:
Base-Base interactions energy: -844.415
where: short stacking energy: -327.118
Base-Backbone interact. energy: -1.138
local terms energy: -354.260178
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -75.163
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -94.479
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1359.629470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.629470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.429470 (E_RNA)
where:
Base-Base interactions energy: -810.184
where: short stacking energy: -315.618
Base-Backbone interact. energy: 3.432
local terms energy: -347.677465
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -57.231
tors. eta vs tors. theta energy: -84.216
Dist. restrs. and SS energy: -205.200 (S_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: 494
Temperature: 1.150000
Total energy: -1215.461969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.461969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.261969 (E_RNA)
where:
Base-Base interactions energy: -700.292
where: short stacking energy: -283.175
Base-Backbone interact. energy: -0.318
local terms energy: -318.652713
where:
bonds (distance) C4'-P energy: -60.811
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -70.031
flat angles P-C4'-P energy: -49.428
tors. eta vs tors. theta energy: -70.187
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1151.677935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.677935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.677935 (E_RNA)
where:
Base-Base interactions energy: -655.870
where: short stacking energy: -264.003
Base-Backbone interact. energy: -2.395
local terms energy: -295.413153
where:
bonds (distance) C4'-P energy: -62.914
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -36.550
tors. eta vs tors. theta energy: -59.485
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1185.342961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.342961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.142961 (E_RNA)
where:
Base-Base interactions energy: -682.583
where: short stacking energy: -275.620
Base-Backbone interact. energy: -2.501
local terms energy: -295.059020
where:
bonds (distance) C4'-P energy: -56.499
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -66.269
flat angles P-C4'-P energy: -37.612
tors. eta vs tors. theta energy: -74.845
Dist. restrs. and SS energy: -205.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1082.347269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.347269 (E_RNA)
where:
Base-Base interactions energy: -626.208
where: short stacking energy: -237.382
Base-Backbone interact. energy: 1.193
local terms energy: -259.331696
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: -52.231
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1023.552449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.552449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.152449 (E_RNA)
where:
Base-Base interactions energy: -575.068
where: short stacking energy: -226.318
Base-Backbone interact. energy: 1.308
local terms energy: -264.392572
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -65.813
flat angles C4'-P-C4' energy: -73.178
flat angles P-C4'-P energy: -38.017
tors. eta vs tors. theta energy: -31.046
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1534.593509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.593509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.593509 (E_RNA)
where:
Base-Base interactions energy: -945.956
where: short stacking energy: -362.293
Base-Backbone interact. energy: 1.883
local terms energy: -374.520945
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -65.060
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -56.393
tors. eta vs tors. theta energy: -93.391
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1427.564284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.564284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.964284 (E_RNA)
where:
Base-Base interactions energy: -859.659
where: short stacking energy: -333.253
Base-Backbone interact. energy: 0.520
local terms energy: -357.825343
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -75.757
flat angles C4'-P-C4' energy: -75.503
flat angles P-C4'-P energy: -56.412
tors. eta vs tors. theta energy: -88.874
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1406.144434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.144434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.344434 (E_RNA)
where:
Base-Base interactions energy: -876.459
where: short stacking energy: -349.022
Base-Backbone interact. energy: -1.735
local terms energy: -319.150661
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -47.618
tors. eta vs tors. theta energy: -93.617
Dist. restrs. and SS energy: -208.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1392.862725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.862725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.862725 (E_RNA)
where:
Base-Base interactions energy: -829.424
where: short stacking energy: -304.350
Base-Backbone interact. energy: 6.955
local terms energy: -363.394167
where:
bonds (distance) C4'-P energy: -60.274
bonds (distance) P-C4' energy: -76.376
flat angles C4'-P-C4' energy: -78.087
flat angles P-C4'-P energy: -59.389
tors. eta vs tors. theta energy: -89.267
Dist. restrs. and SS energy: -207.000 (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: 495
Temperature: 1.100000
Total energy: -1272.781083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.781083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.181083 (E_RNA)
where:
Base-Base interactions energy: -738.029
where: short stacking energy: -299.202
Base-Backbone interact. energy: -1.700
local terms energy: -331.451733
where:
bonds (distance) C4'-P energy: -70.884
bonds (distance) P-C4' energy: -69.487
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -77.698
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1218.247398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.247398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.247398 (E_RNA)
where:
Base-Base interactions energy: -711.158
where: short stacking energy: -284.681
Base-Backbone interact. energy: 1.811
local terms energy: -319.899923
where:
bonds (distance) C4'-P energy: -47.710
bonds (distance) P-C4' energy: -75.823
flat angles C4'-P-C4' energy: -79.791
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -71.770
Dist. restrs. and SS energy: -189.000 (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: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1180.524128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.524128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.124128 (E_RNA)
where:
Base-Base interactions energy: -671.054
where: short stacking energy: -283.556
Base-Backbone interact. energy: -1.943
local terms energy: -313.127340
where:
bonds (distance) C4'-P energy: -67.969
bonds (distance) P-C4' energy: -56.171
flat angles C4'-P-C4' energy: -68.859
flat angles P-C4'-P energy: -47.841
tors. eta vs tors. theta energy: -72.287
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1154.151968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.151968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.351968 (E_RNA)
where:
Base-Base interactions energy: -660.793
where: short stacking energy: -245.389
Base-Backbone interact. energy: -0.909
local terms energy: -292.650083
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -63.973
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -71.216
Dist. restrs. and SS energy: -199.800 (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: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1051.406613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.606613 (E_RNA)
where:
Base-Base interactions energy: -604.872
where: short stacking energy: -236.916
Base-Backbone interact. energy: -3.665
local terms energy: -252.069353
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -60.674
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -31.262
tors. eta vs tors. theta energy: -52.190
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1020.662829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.662829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.262829 (E_RNA)
where:
Base-Base interactions energy: -578.678
where: short stacking energy: -223.350
Base-Backbone interact. energy: 2.564
local terms energy: -259.148869
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -52.232
Dist. restrs. and SS energy: -185.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1546.360294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.360294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.160294 (E_RNA)
where:
Base-Base interactions energy: -957.728
where: short stacking energy: -358.245
Base-Backbone interact. energy: -1.248
local terms energy: -373.183347
where:
bonds (distance) C4'-P energy: -76.738
bonds (distance) P-C4' energy: -67.281
flat angles C4'-P-C4' energy: -83.593
flat angles P-C4'-P energy: -52.039
tors. eta vs tors. theta energy: -93.532
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1427.343307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.343307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.943307 (E_RNA)
where:
Base-Base interactions energy: -857.593
where: short stacking energy: -334.899
Base-Backbone interact. energy: -1.847
local terms energy: -355.503293
where:
bonds (distance) C4'-P energy: -64.467
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -84.236
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -80.914
Dist. restrs. and SS energy: -212.400 (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: 496
Temperature: 1.000000
Total energy: -1403.710075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.710075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.510075 (E_RNA)
where:
Base-Base interactions energy: -855.535
where: short stacking energy: -345.087
Base-Backbone interact. energy: 2.171
local terms energy: -345.145759
where:
bonds (distance) C4'-P energy: -67.089
bonds (distance) P-C4' energy: -63.378
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -48.605
tors. eta vs tors. theta energy: -94.351
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1397.899001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.899001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.499001 (E_RNA)
where:
Base-Base interactions energy: -838.765
where: short stacking energy: -342.614
Base-Backbone interact. energy: -0.487
local terms energy: -355.247756
where:
bonds (distance) C4'-P energy: -70.947
bonds (distance) P-C4' energy: -63.252
flat angles C4'-P-C4' energy: -81.782
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -93.996
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1299.695885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.695885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.095885 (E_RNA)
where:
Base-Base interactions energy: -758.984
where: short stacking energy: -310.262
Base-Backbone interact. energy: -1.160
local terms energy: -337.950995
where:
bonds (distance) C4'-P energy: -58.027
bonds (distance) P-C4' energy: -73.421
flat angles C4'-P-C4' energy: -72.304
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -89.533
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1207.923207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.923207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.123207 (E_RNA)
where:
Base-Base interactions energy: -703.746
where: short stacking energy: -282.417
Base-Backbone interact. energy: 1.173
local terms energy: -305.549401
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -56.501
flat angles C4'-P-C4' energy: -72.419
flat angles P-C4'-P energy: -45.549
tors. eta vs tors. theta energy: -71.458
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1150.872727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.872727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.072727 (E_RNA)
where:
Base-Base interactions energy: -648.544
where: short stacking energy: -262.109
Base-Backbone interact. energy: -3.190
local terms energy: -299.339216
where:
bonds (distance) C4'-P energy: -57.321
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -75.516
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -68.495
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1143.695976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.695976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.095976 (E_RNA)
where:
Base-Base interactions energy: -662.181
where: short stacking energy: -263.438
Base-Backbone interact. energy: 7.539
local terms energy: -296.454084
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -56.227
Dist. restrs. and SS energy: -192.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1048.217313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.217313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.017313 (E_RNA)
where:
Base-Base interactions energy: -589.835
where: short stacking energy: -233.991
Base-Backbone interact. energy: -0.751
local terms energy: -261.430778
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -61.921
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -60.517
Dist. restrs. and SS energy: -196.200 (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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1035.905086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.905086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.305086 (E_RNA)
where:
Base-Base interactions energy: -595.714
where: short stacking energy: -214.731
Base-Backbone interact. energy: 1.357
local terms energy: -257.948470
where:
bonds (distance) C4'-P energy: -52.069
bonds (distance) P-C4' energy: -58.341
flat angles C4'-P-C4' energy: -53.964
flat angles P-C4'-P energy: -48.252
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: -183.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1525.285759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.285759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.085759 (E_RNA)
where:
Base-Base interactions energy: -932.030
where: short stacking energy: -367.418
Base-Backbone interact. energy: 0.193
local terms energy: -379.248132
where:
bonds (distance) C4'-P energy: -64.198
bonds (distance) P-C4' energy: -68.956
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -100.178
Dist. restrs. and SS energy: -214.200 (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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1441.041599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.041599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.841599 (E_RNA)
where:
Base-Base interactions energy: -869.090
where: short stacking energy: -335.620
Base-Backbone interact. energy: -3.423
local terms energy: -354.329149
where:
bonds (distance) C4'-P energy: -71.206
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -80.611
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -94.895
Dist. restrs. and SS energy: -214.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1419.106029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.106029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.706029 (E_RNA)
where:
Base-Base interactions energy: -861.537
where: short stacking energy: -332.826
Base-Backbone interact. energy: -2.548
local terms energy: -351.620798
where:
bonds (distance) C4'-P energy: -66.594
bonds (distance) P-C4' energy: -76.334
flat angles C4'-P-C4' energy: -71.860
flat angles P-C4'-P energy: -44.043
tors. eta vs tors. theta energy: -92.790
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1396.344541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.344541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.144541 (E_RNA)
where:
Base-Base interactions energy: -837.530
where: short stacking energy: -356.785
Base-Backbone interact. energy: -0.511
local terms energy: -353.104472
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -52.635
flat angles C4'-P-C4' energy: -80.482
flat angles P-C4'-P energy: -56.653
tors. eta vs tors. theta energy: -105.406
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1330.767694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.767694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.367694 (E_RNA)
where:
Base-Base interactions energy: -793.556
where: short stacking energy: -326.167
Base-Backbone interact. energy: -1.688
local terms energy: -332.123933
where:
bonds (distance) C4'-P energy: -57.925
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -77.365
flat angles P-C4'-P energy: -55.262
tors. eta vs tors. theta energy: -82.312
Dist. restrs. and SS energy: -203.400 (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: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1196.718694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.718694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.918694 (E_RNA)
where:
Base-Base interactions energy: -687.604
where: short stacking energy: -286.487
Base-Backbone interact. energy: -1.930
local terms energy: -307.385281
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -72.025
flat angles C4'-P-C4' energy: -56.536
flat angles P-C4'-P energy: -55.661
tors. eta vs tors. theta energy: -65.242
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1202.832775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.832775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.832775 (E_RNA)
where:
Base-Base interactions energy: -673.478
where: short stacking energy: -280.005
Base-Backbone interact. energy: -1.627
local terms energy: -329.727911
where:
bonds (distance) C4'-P energy: -62.476
bonds (distance) P-C4' energy: -70.885
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -81.171
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1154.945027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.945027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.145027 (E_RNA)
where:
Base-Base interactions energy: -654.580
where: short stacking energy: -277.268
Base-Backbone interact. energy: 1.403
local terms energy: -319.968034
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -63.806
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -81.657
Dist. restrs. and SS energy: -181.800 (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: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1047.607437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.607437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.207437 (E_RNA)
where:
Base-Base interactions energy: -600.026
where: short stacking energy: -223.634
Base-Backbone interact. energy: -0.962
local terms energy: -252.219484
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -48.660
flat angles C4'-P-C4' energy: -56.185
flat angles P-C4'-P energy: -37.619
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: -194.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1049.484725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.484725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.284725 (E_RNA)
where:
Base-Base interactions energy: -593.906
where: short stacking energy: -243.196
Base-Backbone interact. energy: -2.930
local terms energy: -265.449084
where:
bonds (distance) C4'-P energy: -57.249
bonds (distance) P-C4' energy: -61.579
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -55.169
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1537.191185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.191185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.391185 (E_RNA)
where:
Base-Base interactions energy: -954.119
where: short stacking energy: -350.705
Base-Backbone interact. energy: -1.444
local terms energy: -363.828223
where:
bonds (distance) C4'-P energy: -57.293
bonds (distance) P-C4' energy: -72.231
flat angles C4'-P-C4' energy: -83.876
flat angles P-C4'-P energy: -52.751
tors. eta vs tors. theta energy: -97.678
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1424.338757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.338757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.938757 (E_RNA)
where:
Base-Base interactions energy: -862.292
where: short stacking energy: -338.365
Base-Backbone interact. energy: -2.261
local terms energy: -347.385368
where:
bonds (distance) C4'-P energy: -62.497
bonds (distance) P-C4' energy: -66.628
flat angles C4'-P-C4' energy: -72.076
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -84.861
Dist. restrs. and SS energy: -212.400 (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: 498
Temperature: 1.000000
Total energy: -1411.351683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.351683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.551683 (E_RNA)
where:
Base-Base interactions energy: -855.958
where: short stacking energy: -356.186
Base-Backbone interact. energy: -0.771
local terms energy: -354.822066
where:
bonds (distance) C4'-P energy: -71.334
bonds (distance) P-C4' energy: -75.828
flat angles C4'-P-C4' energy: -69.966
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -89.791
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1357.115551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.115551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.915551 (E_RNA)
where:
Base-Base interactions energy: -810.597
where: short stacking energy: -325.290
Base-Backbone interact. energy: 0.346
local terms energy: -341.664740
where:
bonds (distance) C4'-P energy: -60.157
bonds (distance) P-C4' energy: -67.593
flat angles C4'-P-C4' energy: -76.272
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -93.960
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1343.485784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.485784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.885784 (E_RNA)
where:
Base-Base interactions energy: -795.921
where: short stacking energy: -319.286
Base-Backbone interact. energy: -1.091
local terms energy: -344.873788
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -64.858
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -83.559
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1223.709886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.709886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.509886 (E_RNA)
where:
Base-Base interactions energy: -709.946
where: short stacking energy: -264.196
Base-Backbone interact. energy: -1.596
local terms energy: -315.967554
where:
bonds (distance) C4'-P energy: -61.801
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -74.027
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1172.908027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.908027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.908027 (E_RNA)
where:
Base-Base interactions energy: -666.850
where: short stacking energy: -279.209
Base-Backbone interact. energy: 0.763
local terms energy: -308.820801
where:
bonds (distance) C4'-P energy: -65.722
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -79.848
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -62.385
Dist. restrs. and SS energy: -198.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1146.864457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.864457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.864457 (E_RNA)
where:
Base-Base interactions energy: -670.116
where: short stacking energy: -251.922
Base-Backbone interact. energy: 3.356
local terms energy: -282.104223
where:
bonds (distance) C4'-P energy: -64.716
bonds (distance) P-C4' energy: -64.216
flat angles C4'-P-C4' energy: -65.397
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -58.221
Dist. restrs. and SS energy: -198.000 (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: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1051.554040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.554040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.954040 (E_RNA)
where:
Base-Base interactions energy: -609.957
where: short stacking energy: -244.146
Base-Backbone interact. energy: 0.295
local terms energy: -267.292617
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -61.939
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: -174.600 (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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1033.924765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.924765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.724765 (E_RNA)
where:
Base-Base interactions energy: -590.018
where: short stacking energy: -239.411
Base-Backbone interact. energy: -2.138
local terms energy: -254.568500
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -43.978
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: -187.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1542.391959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.391959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.391959 (E_RNA)
where:
Base-Base interactions energy: -947.098
where: short stacking energy: -364.741
Base-Backbone interact. energy: -3.408
local terms energy: -375.886922
where:
bonds (distance) C4'-P energy: -71.324
bonds (distance) P-C4' energy: -81.026
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -94.836
Dist. restrs. and SS energy: -216.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1437.808998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.808998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.208998 (E_RNA)
where:
Base-Base interactions energy: -864.297
where: short stacking energy: -336.818
Base-Backbone interact. energy: -2.412
local terms energy: -360.499885
where:
bonds (distance) C4'-P energy: -72.393
bonds (distance) P-C4' energy: -71.413
flat angles C4'-P-C4' energy: -75.465
flat angles P-C4'-P energy: -51.887
tors. eta vs tors. theta energy: -89.342
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1411.550078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.550078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.350078 (E_RNA)
where:
Base-Base interactions energy: -845.781
where: short stacking energy: -338.228
Base-Backbone interact. energy: -1.901
local terms energy: -358.668062
where:
bonds (distance) C4'-P energy: -70.904
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -53.882
tors. eta vs tors. theta energy: -87.233
Dist. restrs. and SS energy: -205.200 (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: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1385.770760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.770760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.570760 (E_RNA)
where:
Base-Base interactions energy: -820.796
where: short stacking energy: -307.850
Base-Backbone interact. energy: -1.020
local terms energy: -358.755035
where:
bonds (distance) C4'-P energy: -75.965
bonds (distance) P-C4' energy: -75.136
flat angles C4'-P-C4' energy: -72.679
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -85.502
Dist. restrs. and SS energy: -205.200 (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: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1347.306209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.306209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.506209 (E_RNA)
where:
Base-Base interactions energy: -800.490
where: short stacking energy: -325.454
Base-Backbone interact. energy: -0.719
local terms energy: -346.296963
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -84.396
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -85.586
Dist. restrs. and SS energy: -199.800 (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: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1213.562239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.562239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.362239 (E_RNA)
where:
Base-Base interactions energy: -693.975
where: short stacking energy: -272.323
Base-Backbone interact. energy: -4.705
local terms energy: -318.682568
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -72.617
flat angles C4'-P-C4' energy: -70.547
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -72.250
Dist. restrs. and SS energy: -196.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1190.857415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.857415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.457415 (E_RNA)
where:
Base-Base interactions energy: -681.463
where: short stacking energy: -260.235
Base-Backbone interact. energy: 1.744
local terms energy: -307.737862
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -67.792
flat angles C4'-P-C4' energy: -79.376
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -63.350
Dist. restrs. and SS energy: -203.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1164.608417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.608417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.208417 (E_RNA)
where:
Base-Base interactions energy: -672.229
where: short stacking energy: -273.045
Base-Backbone interact. energy: 1.174
local terms energy: -308.153576
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -58.989
flat angles C4'-P-C4' energy: -79.057
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: -185.400 (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: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1048.537471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.537471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.337471 (E_RNA)
where:
Base-Base interactions energy: -612.592
where: short stacking energy: -232.462
Base-Backbone interact. energy: -2.333
local terms energy: -255.412621
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -70.089
flat angles C4'-P-C4' energy: -48.630
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -46.899
Dist. restrs. and SS energy: -178.200 (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: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1024.078776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.078776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.278776 (E_RNA)
where:
Base-Base interactions energy: -559.830
where: short stacking energy: -203.046
Base-Backbone interact. energy: 0.361
local terms energy: -273.809363
where:
bonds (distance) C4'-P energy: -67.242
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -45.600
flat angles P-C4'-P energy: -43.326
tors. eta vs tors. theta energy: -52.129
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1529.455960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.455960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.655960 (E_RNA)
where:
Base-Base interactions energy: -940.737
where: short stacking energy: -371.967
Base-Backbone interact. energy: -1.669
local terms energy: -369.250640
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -73.937
flat angles C4'-P-C4' energy: -81.119
flat angles P-C4'-P energy: -62.138
tors. eta vs tors. theta energy: -95.190
Dist. restrs. and SS energy: -217.800 (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: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1435.571750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.571750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.571750 (E_RNA)
where:
Base-Base interactions energy: -870.335
where: short stacking energy: -332.211
Base-Backbone interact. energy: -3.536
local terms energy: -345.700772
where:
bonds (distance) C4'-P energy: -66.100
bonds (distance) P-C4' energy: -63.586
flat angles C4'-P-C4' energy: -66.755
flat angles P-C4'-P energy: -54.249
tors. eta vs tors. theta energy: -95.012
Dist. restrs. and SS energy: -216.000 (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: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1384.659800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.659800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.059800 (E_RNA)
where:
Base-Base interactions energy: -810.573
where: short stacking energy: -316.185
Base-Backbone interact. energy: -1.527
local terms energy: -361.960555
where:
bonds (distance) C4'-P energy: -76.055
bonds (distance) P-C4' energy: -71.049
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -54.000
tors. eta vs tors. theta energy: -86.851
Dist. restrs. and SS energy: -210.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1395.671831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.671831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.871831 (E_RNA)
where:
Base-Base interactions energy: -852.070
where: short stacking energy: -343.951
Base-Backbone interact. energy: -1.398
local terms energy: -342.404292
where:
bonds (distance) C4'-P energy: -72.748
bonds (distance) P-C4' energy: -61.382
flat angles C4'-P-C4' energy: -70.505
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: -199.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1348.420431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.420431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.620431 (E_RNA)
where:
Base-Base interactions energy: -822.619
where: short stacking energy: -338.616
Base-Backbone interact. energy: 0.091
local terms energy: -326.092237
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -72.021
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -81.070
Dist. restrs. and SS energy: -199.800 (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: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1239.984986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.984986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.384986 (E_RNA)
where:
Base-Base interactions energy: -719.606
where: short stacking energy: -297.168
Base-Backbone interact. energy: -2.291
local terms energy: -316.488294
where:
bonds (distance) C4'-P energy: -59.893
bonds (distance) P-C4' energy: -60.855
flat angles C4'-P-C4' energy: -80.839
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -73.773
Dist. restrs. and SS energy: -201.600 (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: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1206.069278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.069278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.869278 (E_RNA)
where:
Base-Base interactions energy: -695.442
where: short stacking energy: -273.147
Base-Backbone interact. energy: -0.893
local terms energy: -304.534382
where:
bonds (distance) C4'-P energy: -57.721
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -67.559
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -67.618
Dist. restrs. and SS energy: -205.200 (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: 6
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1165.875998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.875998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.475998 (E_RNA)
where:
Base-Base interactions energy: -651.300
where: short stacking energy: -260.561
Base-Backbone interact. energy: 0.683
local terms energy: -320.858528
where:
bonds (distance) C4'-P energy: -63.196
bonds (distance) P-C4' energy: -74.993
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -71.331
Dist. restrs. and SS energy: -194.400 (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: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1064.614450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.614450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.414450 (E_RNA)
where:
Base-Base interactions energy: -593.943
where: short stacking energy: -236.453
Base-Backbone interact. energy: -1.642
local terms energy: -281.829627
where:
bonds (distance) C4'-P energy: -59.729
bonds (distance) P-C4' energy: -60.124
flat angles C4'-P-C4' energy: -67.530
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: -54.811
Dist. restrs. and SS energy: -187.200 (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: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -999.895215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.895215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.095215 (E_RNA)
where:
Base-Base interactions energy: -561.260
where: short stacking energy: -226.722
Base-Backbone interact. energy: 6.960
local terms energy: -254.794618
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -62.421
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -48.132
Dist. restrs. and SS energy: -190.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)